CID 16152

Octyl o-((2-(diethylamino)ethyl)carbamoyl)carbanilate hydrochloride

Structural Information

Molecular Formula
C22H37N3O3
SMILES
CCCCCCCCOC(=O)NC1=CC=CC=C1C(=O)NCCN(CC)CC
InChI
InChI=1S/C22H37N3O3/c1-4-7-8-9-10-13-18-28-22(27)24-20-15-12-11-14-19(20)21(26)23-16-17-25(5-2)6-3/h11-12,14-15H,4-10,13,16-18H2,1-3H3,(H,23,26)(H,24,27)
InChIKey
LISSADPHIHAQCX-UHFFFAOYSA-N
Compound name
octyl N-[2-[2-(diethylamino)ethylcarbamoyl]phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.28348 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.29076 202.9
[M+Na]+ 414.27270 203.0
[M-H]- 390.27620 205.7
[M+NH4]+ 409.31730 213.8
[M+K]+ 430.24664 201.1
[M+H-H2O]+ 374.28074 193.1
[M+HCOO]- 436.28168 225.6
[M+CH3COO]- 450.29733 234.0
[M+Na-2H]- 412.25815 201.2
[M]+ 391.28293 208.1
[M]- 391.28403 208.1
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.