PubChemLite - 86384-21-6 (C18H36N9P3)

Structural Information

Molecular Formula

SMILES

C1CCN(CC1)[P@@]2(=NP(=NP(=N2)(N3CC3)N4CC4)(N5CCCCC5)N6CC6)N7CC7

InChI

InChI=1S/C18H36N9P3/c1-3-7-22(8-4-1)28(24-11-12-24)19-29(25-13-14-25,23-9-5-2-6-10-23)21-30(20-28,26-15-16-26)27-17-18-27/h1-18H2/t28-,29?/m0/s1

InChIKey

ZRNNGPOEJITBAV-XLTVJXRZSA-N

Compound name

(6S)-2,2,4,6-tetrakis(aziridin-1-yl)-4,6-di(piperidin-1-yl)-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	472.23793	252.4
[M+Na]+	494.21987	247.3
[M-H]-	470.22337	251.1
[M+NH4]+	489.26447	240.6
[M+K]+	510.19381	251.5
[M+H-H2O]+	454.22791	243.4
[M+HCOO]-	516.22885	256.9
[M+CH3COO]-	530.24450	245.6
[M+Na-2H]-	492.20532	236.6
[M]+	471.23010	247.6
[M]-	471.23120	247.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

472.23793

252.4

[M+Na]+

494.21987

247.3

[M-H]-

470.22337

251.1

[M+NH4]+

489.26447

240.6

[M+K]+

510.19381

251.5

[M+H-H2O]+

454.22791

243.4

[M+HCOO]-

516.22885

256.9

[M+CH3COO]-

530.24450

245.6

[M+Na-2H]-

492.20532

236.6

[M]+

471.23010

247.6

[M]-

471.23120

247.6

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

86384-21-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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