CID 99422

M-isobutyramidophenyl tert-butylcarbamate

Structural Information

Molecular Formula
C15H22N2O3
SMILES
CC(C)C(=O)NC1=CC(=CC=C1)OC(=O)NC(C)(C)C
InChI
InChI=1S/C15H22N2O3/c1-10(2)13(18)16-11-7-6-8-12(9-11)20-14(19)17-15(3,4)5/h6-10H,1-5H3,(H,16,18)(H,17,19)
InChIKey
GKYKHTPBXMEFKN-UHFFFAOYSA-N
Compound name
[3-(2-methylpropanoylamino)phenyl] N-tert-butylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.16306 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.17034 167.0
[M+Na]+ 301.15228 171.3
[M-H]- 277.15578 170.4
[M+NH4]+ 296.19688 182.6
[M+K]+ 317.12622 170.6
[M+H-H2O]+ 261.16032 160.3
[M+HCOO]- 323.16126 188.2
[M+CH3COO]- 337.17691 205.2
[M+Na-2H]- 299.13773 169.1
[M]+ 278.16251 168.1
[M]- 278.16361 168.1
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

patents stripe