CID 60388

109966-65-6

Structural Information

Molecular Formula
C17H27N3O3
SMILES
CCCOC(=O)NC1=CC=C(C=C1)C(=O)NCCN(CC)CC
InChI
InChI=1S/C17H27N3O3/c1-4-13-23-17(22)19-15-9-7-14(8-10-15)16(21)18-11-12-20(5-2)6-3/h7-10H,4-6,11-13H2,1-3H3,(H,18,21)(H,19,22)
InChIKey
JQYAXXIELCOWNI-UHFFFAOYSA-N
Compound name
propyl N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.20523 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.21251 180.5
[M+Na]+ 344.19445 182.9
[M-H]- 320.19795 184.4
[M+NH4]+ 339.23905 194.3
[M+K]+ 360.16839 182.1
[M+H-H2O]+ 304.20249 171.7
[M+HCOO]- 366.20343 205.0
[M+CH3COO]- 380.21908 219.2
[M+Na-2H]- 342.17990 181.4
[M]+ 321.20468 184.0
[M]- 321.20578 184.0
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.