CID 16287

2045-44-5

Structural Information

Molecular Formula
C14H20Cl2N2O2
SMILES
CC(C)OC(=O)NC1=CC=C(C=C1)N(CCCl)CCCl
InChI
InChI=1S/C14H20Cl2N2O2/c1-11(2)20-14(19)17-12-3-5-13(6-4-12)18(9-7-15)10-8-16/h3-6,11H,7-10H2,1-2H3,(H,17,19)
InChIKey
IJMUVZABOPSWCH-UHFFFAOYSA-N
Compound name
propan-2-yl N-[4-[bis(2-chloroethyl)amino]phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.09018 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.09746 173.3
[M+Na]+ 341.07940 179.0
[M-H]- 317.08290 177.0
[M+NH4]+ 336.12400 189.2
[M+K]+ 357.05334 175.0
[M+H-H2O]+ 301.08744 167.6
[M+HCOO]- 363.08838 187.9
[M+CH3COO]- 377.10403 212.2
[M+Na-2H]- 339.06485 174.2
[M]+ 318.08963 179.3
[M]- 318.09073 179.3
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.