CID 6852140

N-(7-carbamimidoyl-naphthalen-1-yl)-3-hydroxy-2-methyl-benzamide

Structural Information

Molecular Formula
C19H17N3O2
SMILES
CC1=C(C=CC=C1O)C(=O)NC2=CC=CC3=C2C=C(C=C3)C(=N)N
InChI
InChI=1S/C19H17N3O2/c1-11-14(5-3-7-17(11)23)19(24)22-16-6-2-4-12-8-9-13(18(20)21)10-15(12)16/h2-10,23H,1H3,(H3,20,21)(H,22,24)
InChIKey
NNGZRCYXFBHMRM-UHFFFAOYSA-N
Compound name
N-(7-carbamimidoylnaphthalen-1-yl)-3-hydroxy-2-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

319.13208 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.13936 174.1
[M+Na]+ 342.12130 180.3
[M-H]- 318.12480 180.2
[M+NH4]+ 337.16590 187.4
[M+K]+ 358.09524 175.1
[M+H-H2O]+ 302.12934 165.8
[M+HCOO]- 364.13028 196.1
[M+CH3COO]- 378.14593 215.8
[M+Na-2H]- 340.10675 177.4
[M]+ 319.13153 170.6
[M]- 319.13263 170.6
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