CID 3043789

Brn 2883031

Structural Information

Molecular Formula
C17H18N2O3
SMILES
CC(C(=O)NCC1=CC=CC=C1)NC(=O)C2=CC=CC=C2O
InChI
InChI=1S/C17H18N2O3/c1-12(16(21)18-11-13-7-3-2-4-8-13)19-17(22)14-9-5-6-10-15(14)20/h2-10,12,20H,11H2,1H3,(H,18,21)(H,19,22)
InChIKey
RHIMPAXATDSVCU-UHFFFAOYSA-N
Compound name
N-[1-(benzylamino)-1-oxopropan-2-yl]-2-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.13174 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.13902 169.9
[M+Na]+ 321.12096 173.4
[M-H]- 297.12446 174.8
[M+NH4]+ 316.16556 183.0
[M+K]+ 337.09490 170.2
[M+H-H2O]+ 281.12900 161.5
[M+HCOO]- 343.12994 191.8
[M+CH3COO]- 357.14559 205.7
[M+Na-2H]- 319.10641 172.3
[M]+ 298.13119 167.9
[M]- 298.13229 167.9
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

No patent data available for this compound.