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

90
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.