CID 16772359

3-(2-methylpropanamido)naphthalene-2-carboxylic acid

Structural Information

Molecular Formula
C15H15NO3
SMILES
CC(C)C(=O)NC1=CC2=CC=CC=C2C=C1C(=O)O
InChI
InChI=1S/C15H15NO3/c1-9(2)14(17)16-13-8-11-6-4-3-5-10(11)7-12(13)15(18)19/h3-9H,1-2H3,(H,16,17)(H,18,19)
InChIKey
XYWAUUIQQPTWSQ-UHFFFAOYSA-N
Compound name
3-(2-methylpropanoylamino)naphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.1052 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.112476 157.3
[M+Na]+ 280.094418 163.6
[M-H]- 256.097924 160.5
[M+NH4]+ 275.139023 174.1
[M+K]+ 296.068358 160.8
[M+H-H2O]+ 240.102460 150.8
[M+HCOO]- 302.103401 177.2
[M+CH3COO]- 316.119051 198.1
[M+Na-2H]- 278.079866 160.4
[M]+ 257.10465142 157.2
[M]- 257.10574858 157.2
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.