CID 6482684

4-[6-[ethyl(2h-indol-3-yl)amino]pyrazin-2-yl]benzamide

Structural Information

Molecular Formula
C21H19N5O
SMILES
CCN(C1=C2C=CC=CC2=NC1)C3=NC(=CN=C3)C4=CC=C(C=C4)C(=O)N
InChI
InChI=1S/C21H19N5O/c1-2-26(19-12-24-17-6-4-3-5-16(17)19)20-13-23-11-18(25-20)14-7-9-15(10-8-14)21(22)27/h3-11,13H,2,12H2,1H3,(H2,22,27)
InChIKey
FUFQAVOFRMDJTK-UHFFFAOYSA-N
Compound name
4-[6-[ethyl(2H-indol-3-yl)amino]pyrazin-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.15897 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.16625 184.4
[M+Na]+ 380.14819 192.3
[M-H]- 356.15169 192.7
[M+NH4]+ 375.19279 195.0
[M+K]+ 396.12213 186.3
[M+H-H2O]+ 340.15623 172.7
[M+HCOO]- 402.15717 206.8
[M+CH3COO]- 416.17282 194.5
[M+Na-2H]- 378.13364 188.9
[M]+ 357.15842 185.9
[M]- 357.15952 185.9
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.