PubChemLite - Brn 6493538 (C10H32N12P4)

Structural Information

Molecular Formula

SMILES

CN[P@@]1(=N[P@](=NP(=NP(=N1)(NC)NC)(NC)NC)(NC)N2CC2)N3CC3

InChI

InChI=1S/C10H32N12P4/c1-11-23(12-2)17-24(13-3,14-4)19-26(16-6,22-9-10-22)20-25(15-5,18-23)21-7-8-21/h11-16H,7-10H2,1-6H3/t25-,26-/m1/s1

InChIKey

ZBIHORSPSRNJIJ-CLJLJLNGSA-N

Compound name

(6R,8S)-6,8-bis(aziridin-1-yl)-2-N,2-N',4-N,4-N',6-N,8-N-hexamethyl-1,3,5,7-tetraza-2lambda5,4lambda5,6lambda5,8lambda5-tetraphosphacycloocta-1,3,5,7-tetraene-2,2,4,4,6,8-hexamine

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]+	445.18962	167.2
[M+Na]+	467.17156	170.4
[M-H]-	443.17506	167.4
[M+NH4]+	462.21616	167.6
[M+K]+	483.14550	171.6
[M+H-H2O]+	427.17960	162.2
[M+HCOO]-	489.18054	181.6
[M+CH3COO]-	503.19619	250.8
[M+Na-2H]-	465.15701	166.4
[M]+	444.18179	169.2
[M]-	444.18289	169.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

445.18962

167.2

[M+Na]+

467.17156

170.4

[M-H]-

443.17506

167.4

[M+NH4]+

462.21616

167.6

[M+K]+

483.14550

171.6

[M+H-H2O]+

427.17960

162.2

[M+HCOO]-

489.18054

181.6

[M+CH3COO]-

503.19619

250.8

[M+Na-2H]-

465.15701

166.4

[M]+

444.18179

169.2

[M]-

444.18289

169.2

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

Brn 6493538

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe