CID 61094731

3,5-diamino-n-(pyridin-3-ylmethyl)benzamide

Structural Information

Molecular Formula
C13H14N4O
SMILES
C1=CC(=CN=C1)CNC(=O)C2=CC(=CC(=C2)N)N
InChI
InChI=1S/C13H14N4O/c14-11-4-10(5-12(15)6-11)13(18)17-8-9-2-1-3-16-7-9/h1-7H,8,14-15H2,(H,17,18)
InChIKey
BVGLECMQARBFOT-UHFFFAOYSA-N
Compound name
3,5-diamino-N-(pyridin-3-ylmethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

177
Patents

242.11676 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.12404 155.3
[M+Na]+ 265.10598 166.7
[M+NH4]+ 260.15058 162.3
[M+K]+ 281.07992 160.7
[M-H]- 241.10948 160.0
[M+Na-2H]- 263.09143 163.4
[M]+ 242.11621 157.9
[M]- 242.11731 157.9
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

patents stripe