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

0
Patents

278.16306 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.17034 167.3
[M+Na]+ 301.15228 172.3
[M-H]- 277.15578 170.6
[M+NH4]+ 296.19688 183.0
[M+K]+ 317.12622 170.4
[M+H-H2O]+ 261.16032 159.8
[M+HCOO]- 323.16126 190.9
[M+CH3COO]- 337.17691 205.9
[M+Na-2H]- 299.13773 168.9
[M]+ 278.16251 170.0
[M]- 278.16361 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