CID 13770935

97139-14-5

Structural Information

Molecular Formula
C22H45Cl2N4O4P
SMILES
CCCCCCCCCCCCCCNC(=O)N(C1CCOP(=O)(N1)N(CCCl)CCCl)O
InChI
InChI=1S/C22H45Cl2N4O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-25-22(29)28(30)21-14-20-32-33(31,26-21)27(18-15-23)19-16-24/h21,30H,2-20H2,1H3,(H,25,29)(H,26,31)
InChIKey
ZJNGYHDGJZOOLA-UHFFFAOYSA-N
Compound name
1-[2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2lambda5-oxazaphosphinan-4-yl]-1-hydroxy-3-tetradecylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

530.25555 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 531.26283 227.7
[M+Na]+ 553.24477 226.1
[M-H]- 529.24827 226.1
[M+NH4]+ 548.28937 233.7
[M+K]+ 569.21871 222.5
[M+H-H2O]+ 513.25281 218.4
[M+HCOO]- 575.25375 238.7
[M+CH3COO]- 589.26940 251.4
[M+Na-2H]- 551.23022 222.0
[M]+ 530.25500 234.5
[M]- 530.25610 234.5
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.