CID 108292

54948-25-3

Structural Information

Molecular Formula
C15H21N4O2P
SMILES
CC1=CC(=C(C=C1)NC(=O)NC=CP(=O)(N2CC2)N3CC3)C
InChI
InChI=1S/C15H21N4O2P/c1-12-3-4-14(13(2)11-12)17-15(20)16-5-10-22(21,18-6-7-18)19-8-9-19/h3-5,10-11H,6-9H2,1-2H3,(H2,16,17,20)
InChIKey
FSQCJCGRJQUHCA-UHFFFAOYSA-N
Compound name
1-[2-[bis(aziridin-1-yl)phosphoryl]ethenyl]-3-(2,4-dimethylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.1402 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.14748 187.2
[M+Na]+ 343.12942 193.1
[M-H]- 319.13292 192.9
[M+NH4]+ 338.17402 188.8
[M+K]+ 359.10336 187.9
[M+H-H2O]+ 303.13746 177.9
[M+HCOO]- 365.13840 209.8
[M+CH3COO]- 379.15405 219.2
[M+Na-2H]- 341.11487 185.9
[M]+ 320.13965 190.7
[M]- 320.14075 190.7
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.