CID 130587

3-carbamyl-(3'-picolyl)-4-methoxy-1-benzamide

Structural Information

Molecular Formula
C15H15N3O3
SMILES
COC1=C(C=C(C=C1)C(=O)N)C(=O)NCC2=CN=CC=C2
InChI
InChI=1S/C15H15N3O3/c1-21-13-5-4-11(14(16)19)7-12(13)15(20)18-9-10-3-2-6-17-8-10/h2-8H,9H2,1H3,(H2,16,19)(H,18,20)
InChIKey
QWZWECXMQXZQOG-UHFFFAOYSA-N
Compound name
4-methoxy-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

1
Patents

285.11133 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.11861 164.8
[M+Na]+ 308.10055 170.9
[M-H]- 284.10405 169.9
[M+NH4]+ 303.14515 177.9
[M+K]+ 324.07449 167.8
[M+H-H2O]+ 268.10859 155.7
[M+HCOO]- 330.10953 188.0
[M+CH3COO]- 344.12518 205.2
[M+Na-2H]- 306.08600 168.5
[M]+ 285.11078 164.7
[M]- 285.11188 164.7
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