CID 5287720

3-(6-aminopyridin-3-yl)-n-methyl-n-[(1-methyl-1h-indol-2-yl)methyl]acrylamide

Structural Information

Molecular Formula
C19H20N4O
SMILES
CN1C2=CC=CC=C2C=C1CN(C)C(=O)/C=C/C3=CN=C(C=C3)N
InChI
InChI=1S/C19H20N4O/c1-22(19(24)10-8-14-7-9-18(20)21-12-14)13-16-11-15-5-3-4-6-17(15)23(16)2/h3-12H,13H2,1-2H3,(H2,20,21)/b10-8+
InChIKey
AKFPMLBVLWZSQX-CSKARUKUSA-N
Compound name
(E)-3-(6-aminopyridin-3-yl)-N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

92
Patents

320.1637 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.17098 177.7
[M+Na]+ 343.15292 185.9
[M-H]- 319.15642 184.3
[M+NH4]+ 338.19752 192.1
[M+K]+ 359.12686 180.6
[M+H-H2O]+ 303.16096 168.0
[M+HCOO]- 365.16190 201.3
[M+CH3COO]- 379.17755 215.6
[M+Na-2H]- 341.13837 180.5
[M]+ 320.16315 179.9
[M]- 320.16425 179.9
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