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 194.2
[M+Na]+ 447.07262 195.8
[M-H]- 423.07612 198.5
[M+NH4]+ 442.11722 202.6
[M+K]+ 463.04656 194.7
[M+H-H2O]+ 407.08066 184.2
[M+HCOO]- 469.08160 207.8
[M+CH3COO]- 483.09725 232.7
[M+Na-2H]- 445.05807 190.1
[M]+ 424.08285 196.2
[M]- 424.08395 196.2
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.