CID 135210

1,1,3,3-tetraaziridino-2,4,6-triaza-5,5-dipyrrolidinyl-1,3,5-triphosphorin

Structural Information

Molecular Formula
C16H32N9P3
SMILES
C1CCN(C1)P2(=NP(=NP(=N2)(N3CC3)N4CC4)(N5CC5)N6CC6)N7CCCC7
InChI
InChI=1S/C16H32N9P3/c1-2-6-20(5-1)26(21-7-3-4-8-21)17-27(22-9-10-22,23-11-12-23)19-28(18-26,24-13-14-24)25-15-16-25/h1-16H2
InChIKey
FGVWRPNKIOPBLU-UHFFFAOYSA-N
Compound name
2,2,4,4-tetrakis(aziridin-1-yl)-6,6-dipyrrolidin-1-yl-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

443.19934 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.20662 234.0
[M+Na]+ 466.18856 229.9
[M-H]- 442.19206 233.7
[M+NH4]+ 461.23316 224.4
[M+K]+ 482.16250 233.5
[M+H-H2O]+ 426.19660 227.0
[M+HCOO]- 488.19754 240.3
[M+CH3COO]- 502.21319 229.0
[M+Na-2H]- 464.17401 218.1
[M]+ 443.19879 231.1
[M]- 443.19989 231.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe