CID 24847473

97139-47-4

Structural Information

Molecular Formula
C15H23Cl2N4O4P
SMILES
CN(C1=CCC(=O)C=C1)C(=O)N(C2CCOP(N2)N(CCCl)CCCl)O
InChI
InChI=1S/C15H23Cl2N4O4P/c1-19(12-2-4-13(22)5-3-12)15(23)21(24)14-6-11-25-26(18-14)20(9-7-16)10-8-17/h2-4,14,18,24H,5-11H2,1H3
InChIKey
YNLBDLYUYAPYOS-UHFFFAOYSA-N
Compound name
1-[2-[bis(2-chloroethyl)amino]-1,3,2-oxazaphosphinan-4-yl]-1-hydroxy-3-methyl-3-(4-oxocyclohexa-1,5-dien-1-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.0834 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.09068 193.8
[M+Na]+ 447.07262 200.6
[M+NH4]+ 442.11722 198.2
[M+K]+ 463.04656 197.1
[M-H]- 423.07612 196.7
[M+Na-2H]- 445.05807 195.6
[M]+ 424.08285 195.4
[M]- 424.08395 195.4
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.