CID 3040410

Brn 1360788

Structural Information

Molecular Formula
C20H28N8O2P2
SMILES
C1CN1C(=NC2=CC=C(C=C2)N=C(N3CC3)P(=O)(N4CC4)N5CC5)P(=O)(N6CC6)N7CC7
InChI
InChI=1S/C20H28N8O2P2/c29-31(25-9-10-25,26-11-12-26)19(23-5-6-23)21-17-1-2-18(4-3-17)22-20(24-7-8-24)32(30,27-13-14-27)28-15-16-28/h1-4H,5-16H2
InChIKey
MQSLKXHYZGHYSS-UHFFFAOYSA-N
Compound name
1-(aziridin-1-yl)-N-[4-[[aziridin-1-yl-[bis(aziridin-1-yl)phosphoryl]methylidene]amino]phenyl]-1-[bis(aziridin-1-yl)phosphoryl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

474.18106 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.18834 123.2
[M+Na]+ 497.17028 125.9
[M+NH4]+ 492.21488 124.9
[M+K]+ 513.14422 129.2
[M-H]- 473.17378 128.5
[M+Na-2H]- 495.15573 129.5
[M]+ 474.18051 125.7
[M]- 474.18161 125.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.