CID 5864051

M-crotonamidophenyl isopropylcarbamate

Structural Information

Molecular Formula
C14H18N2O3
SMILES
C/C=C/C(=O)NC1=CC(=CC=C1)OC(=O)NC(C)C
InChI
InChI=1S/C14H18N2O3/c1-4-6-13(17)16-11-7-5-8-12(9-11)19-14(18)15-10(2)3/h4-10H,1-3H3,(H,15,18)(H,16,17)/b6-4+
InChIKey
JFGQTRRCWGNSKV-GQCTYLIASA-N
Compound name
[3-[[(E)-but-2-enoyl]amino]phenyl] N-propan-2-ylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.13174 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.13902 162.3
[M+Na]+ 285.12096 166.9
[M-H]- 261.12446 165.6
[M+NH4]+ 280.16556 178.3
[M+K]+ 301.09490 165.2
[M+H-H2O]+ 245.12900 155.0
[M+HCOO]- 307.12994 185.6
[M+CH3COO]- 321.14559 201.0
[M+Na-2H]- 283.10641 164.0
[M]+ 262.13119 162.8
[M]- 262.13229 162.8
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