CID 6490174

4-amino-n-(quinolin-8-yl)benzamide

Structural Information

Molecular Formula
C16H13N3O
SMILES
C1=CC2=C(C(=C1)NC(=O)C3=CC=C(C=C3)N)N=CC=C2
InChI
InChI=1S/C16H13N3O/c17-13-8-6-12(7-9-13)16(20)19-14-5-1-3-11-4-2-10-18-15(11)14/h1-10H,17H2,(H,19,20)
InChIKey
BUBAMNUHSKQIEN-UHFFFAOYSA-N
Compound name
4-amino-N-quinolin-8-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

263.10587 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.11315 158.4
[M+Na]+ 286.09509 165.7
[M-H]- 262.09859 164.3
[M+NH4]+ 281.13969 173.5
[M+K]+ 302.06903 160.5
[M+H-H2O]+ 246.10313 149.5
[M+HCOO]- 308.10407 181.4
[M+CH3COO]- 322.11972 169.9
[M+Na-2H]- 284.08054 166.1
[M]+ 263.10532 155.9
[M]- 263.10642 155.9
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