CID 49512

(2-cyclohexylamino-1,1-dimethylethyl)carbanilate hydrochloride

Structural Information

Molecular Formula
C17H26N2O2
SMILES
CC(C)(CNC1CCCCC1)OC(=O)NC2=CC=CC=C2
InChI
InChI=1S/C17H26N2O2/c1-17(2,13-18-14-9-5-3-6-10-14)21-16(20)19-15-11-7-4-8-12-15/h4,7-8,11-12,14,18H,3,5-6,9-10,13H2,1-2H3,(H,19,20)
InChIKey
UEIUNTRVWRUHPT-UHFFFAOYSA-N
Compound name
[1-(cyclohexylamino)-2-methylpropan-2-yl] N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.19943 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.20671 169.8
[M+Na]+ 313.18865 170.6
[M-H]- 289.19215 174.6
[M+NH4]+ 308.23325 183.9
[M+K]+ 329.16259 168.2
[M+H-H2O]+ 273.19669 161.6
[M+HCOO]- 335.19763 188.9
[M+CH3COO]- 349.21328 205.2
[M+Na-2H]- 311.17410 173.8
[M]+ 290.19888 165.1
[M]- 290.19998 165.1
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.