CID 17758361

4-({[4-(3-methylbenzoyl)pyridin-2-yl]amino}methyl)benzenecarboximidamide

Structural Information

Molecular Formula
C21H20N4O
SMILES
CC1=CC(=CC=C1)C(=O)C2=CC(=NC=C2)NCC3=CC=C(C=C3)C(=N)N
InChI
InChI=1S/C21H20N4O/c1-14-3-2-4-17(11-14)20(26)18-9-10-24-19(12-18)25-13-15-5-7-16(8-6-15)21(22)23/h2-12H,13H2,1H3,(H3,22,23)(H,24,25)
InChIKey
MBJYEMUMDMGQQC-UHFFFAOYSA-N
Compound name
4-[[[4-(3-methylbenzoyl)-2-pyridinyl]amino]methyl]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

344.1637 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.170976 183.1
[M+Na]+ 367.152918 188.0
[M-H]- 343.156424 190.9
[M+NH4]+ 362.197523 193.1
[M+K]+ 383.126858 181.9
[M+H-H2O]+ 327.160960 172.5
[M+HCOO]- 389.161901 206.1
[M+CH3COO]- 403.177551 222.0
[M+Na-2H]- 365.138366 186.1
[M]+ 344.16315142 179.5
[M]- 344.16424858 179.5
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

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