CID 24847476

97121-81-8

Structural Information

Molecular Formula
C21H23Cl2N4O5P
SMILES
C1COP(=O)(NC1N(C(=O)NC2=CC3=C(C=C2)C4=CC=CC=C4C3=O)O)N(CCCl)CCCl
InChI
InChI=1S/C21H23Cl2N4O5P/c22-8-10-26(11-9-23)33(31)25-19(7-12-32-33)27(30)21(29)24-14-5-6-16-15-3-1-2-4-17(15)20(28)18(16)13-14/h1-6,13,19,30H,7-12H2,(H,24,29)(H,25,31)
InChIKey
SDNMYCYZGYELHF-UHFFFAOYSA-N
Compound name
1-[2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2lambda5-oxazaphosphinan-4-yl]-1-hydroxy-3-(9-oxofluoren-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

512.0783 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.08558 210.6
[M+Na]+ 535.06752 219.2
[M+NH4]+ 530.11212 216.7
[M+K]+ 551.04146 214.1
[M-H]- 511.07102 214.2
[M+Na-2H]- 533.05297 213.4
[M]+ 512.07775 212.9
[M]- 512.07885 212.9
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.