PubChemLite - 86384-14-7 (C16H32N9O2P3)

Structural Information

Molecular Formula

SMILES

C1CN1P2(=NP(=NP(=N2)(N3CCOCC3)N4CCOCC4)(N5CC5)N6CC6)N7CC7

InChI

InChI=1S/C16H32N9O2P3/c1-2-20(1)28(21-3-4-21)17-29(22-5-6-22,23-7-8-23)19-30(18-28,24-9-13-26-14-10-24)25-11-15-27-16-12-25/h1-16H2

InChIKey

VWRKKJHJTNEGJV-UHFFFAOYSA-N

Compound name

4-[4,4,6,6-tetrakis(aziridin-1-yl)-2-morpholin-4-yl-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-trien-2-yl]morpholine

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]+	476.19646	253.2
[M+Na]+	498.17840	248.7
[M-H]-	474.18190	252.8
[M+NH4]+	493.22300	240.2
[M+K]+	514.15234	254.8
[M+H-H2O]+	458.18644	243.7
[M+HCOO]-	520.18738	256.5
[M+CH3COO]-	534.20303	246.7
[M+Na-2H]-	496.16385	237.7
[M]+	475.18863	249.9
[M]-	475.18973	249.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

476.19646

253.2

[M+Na]+

498.17840

248.7

[M-H]-

474.18190

252.8

[M+NH4]+

493.22300

240.2

[M+K]+

514.15234

254.8

[M+H-H2O]+

458.18644

243.7

[M+HCOO]-

520.18738

256.5

[M+CH3COO]-

534.20303

246.7

[M+Na-2H]-

496.16385

237.7

[M]+

475.18863

249.9

[M]-

475.18973

249.9

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

86384-14-7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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