CID 6918848

Ar-42

Structural Information

Molecular Formula
C18H20N2O3
SMILES
CC(C)[C@@H](C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)NO
InChI
InChI=1S/C18H20N2O3/c1-12(2)16(13-6-4-3-5-7-13)18(22)19-15-10-8-14(9-11-15)17(21)20-23/h3-12,16,23H,1-2H3,(H,19,22)(H,20,21)/t16-/m0/s1
InChIKey
LAMIXXKAWNLXOC-INIZCTEOSA-N
Compound name
N-hydroxy-4-[[(2S)-3-methyl-2-phenylbutanoyl]amino]benzamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

26
References

2229
Patents

312.1474 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.154676 174.6
[M+Na]+ 335.136618 177.4
[M-H]- 311.140124 179.4
[M+NH4]+ 330.181223 187.0
[M+K]+ 351.110558 174.7
[M+H-H2O]+ 295.144660 166.2
[M+HCOO]- 357.145601 195.2
[M+CH3COO]- 371.161251 209.7
[M+Na-2H]- 333.122066 175.3
[M]+ 312.14685142 172.4
[M]- 312.14794858 172.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe