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]+ 322.212506 180.5
[M+Na]+ 344.194448 182.9
[M-H]- 320.197954 184.4
[M+NH4]+ 339.239053 194.3
[M+K]+ 360.168388 182.1
[M+H-H2O]+ 304.202490 171.7
[M+HCOO]- 366.203431 205.0
[M+CH3COO]- 380.219081 219.2
[M+Na-2H]- 342.179896 181.4
[M]+ 321.20468142 184.0
[M]- 321.20577858 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.