CID 13770946

97139-63-4

Structural Information

Molecular Formula
C10H21Cl2N4O4P
SMILES
CCNC(=O)N(C1CCOP(=O)(N1)N(CCCl)CCCl)O
InChI
InChI=1S/C10H21Cl2N4O4P/c1-2-13-10(17)16(18)9-3-8-20-21(19,14-9)15(6-4-11)7-5-12/h9,18H,2-8H2,1H3,(H,13,17)(H,14,19)
InChIKey
MHPMBWZSVOEOEI-UHFFFAOYSA-N
Compound name
1-[2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2lambda5-oxazaphosphinan-4-yl]-3-ethyl-1-hydroxyurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

362.06775 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.07503 175.4
[M+Na]+ 385.05697 178.8
[M-H]- 361.06047 175.9
[M+NH4]+ 380.10157 188.1
[M+K]+ 401.03091 177.6
[M+H-H2O]+ 345.06501 168.2
[M+HCOO]- 407.06595 190.2
[M+CH3COO]- 421.08160 217.0
[M+Na-2H]- 383.04242 175.2
[M]+ 362.06720 177.8
[M]- 362.06830 177.8
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

patents stripe