CID 112811

Carbamic acid, ethyl-, ((3-chlorophenyl)imino)di-2,1-ethanediyl ester

Structural Information

Molecular Formula
C16H24ClN3O4
SMILES
CCNC(=O)OCCN(CCOC(=O)NCC)C1=CC(=CC=C1)Cl
InChI
InChI=1S/C16H24ClN3O4/c1-3-18-15(21)23-10-8-20(9-11-24-16(22)19-4-2)14-7-5-6-13(17)12-14/h5-7,12H,3-4,8-11H2,1-2H3,(H,18,21)(H,19,22)
InChIKey
UCUMBJCUDMNEDV-UHFFFAOYSA-N
Compound name
2-[3-chloro-N-[2-(ethylcarbamoyloxy)ethyl]anilino]ethyl N-ethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.14554 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.15282 184.9
[M+Na]+ 380.13476 188.5
[M-H]- 356.13826 188.9
[M+NH4]+ 375.17936 198.2
[M+K]+ 396.10870 186.5
[M+H-H2O]+ 340.14280 177.1
[M+HCOO]- 402.14374 205.6
[M+CH3COO]- 416.15939 221.2
[M+Na-2H]- 378.12021 186.1
[M]+ 357.14499 191.6
[M]- 357.14609 191.6
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