CID 28776

M-(2-methylhexanamido)phenyl methylcarbamate

Structural Information

Molecular Formula
C15H22N2O3
SMILES
CCCCCC(=O)NC1=C(C(=CC=C1)OC(=O)NC)C
InChI
InChI=1S/C15H22N2O3/c1-4-5-6-10-14(18)17-12-8-7-9-13(11(12)2)20-15(19)16-3/h7-9H,4-6,10H2,1-3H3,(H,16,19)(H,17,18)
InChIKey
RHNZNAMGDKZKCX-UHFFFAOYSA-N
Compound name
[3-(hexanoylamino)-2-methylphenyl] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

278.16306 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.170336 167.3
[M+Na]+ 301.152278 172.3
[M-H]- 277.155784 170.6
[M+NH4]+ 296.196883 183.0
[M+K]+ 317.126218 170.4
[M+H-H2O]+ 261.160320 159.8
[M+HCOO]- 323.161261 190.9
[M+CH3COO]- 337.176911 205.9
[M+Na-2H]- 299.137726 168.9
[M]+ 278.16251142 170.0
[M]- 278.16360858 170.0
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

patents stripe