CID 15945

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

Structural Information

Molecular Formula
C17H27N3O3
SMILES
CCN(CC)CCNC(=O)C1=CC=CC=C1NC(=O)OC(C)C
InChI
InChI=1S/C17H27N3O3/c1-5-20(6-2)12-11-18-16(21)14-9-7-8-10-15(14)19-17(22)23-13(3)4/h7-10,13H,5-6,11-12H2,1-4H3,(H,18,21)(H,19,22)
InChIKey
ORGBLFFMUYNNBH-UHFFFAOYSA-N
Compound name
propan-2-yl N-[2-[2-(diethylamino)ethylcarbamoyl]phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.20523 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.21251 181.2
[M+Na]+ 344.19445 183.3
[M-H]- 320.19795 185.1
[M+NH4]+ 339.23905 194.9
[M+K]+ 360.16839 183.1
[M+H-H2O]+ 304.20249 172.5
[M+HCOO]- 366.20343 204.6
[M+CH3COO]- 380.21908 220.1
[M+Na-2H]- 342.17990 180.8
[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.