CID 5271118

5-methyl-n-[2-(2-pyridyl)ethyl]-[1,2,4]triazino[5,6-b]indol-3-amine

Structural Information

Molecular Formula
C17H16N6
SMILES
CN1C2=CC=CC=C2C3=C1N=C(N=N3)NCCC4=CC=CC=N4
InChI
InChI=1S/C17H16N6/c1-23-14-8-3-2-7-13(14)15-16(23)20-17(22-21-15)19-11-9-12-6-4-5-10-18-12/h2-8,10H,9,11H2,1H3,(H,19,20,22)
InChIKey
JGCATYWRVHHOHM-UHFFFAOYSA-N
Compound name
5-methyl-N-(2-pyridin-2-ylethyl)-[1,2,4]triazino[5,6-b]indol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

304.14365 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.15093 171.8
[M+Na]+ 327.13287 182.7
[M-H]- 303.13637 174.4
[M+NH4]+ 322.17747 183.4
[M+K]+ 343.10681 175.0
[M+H-H2O]+ 287.14091 160.1
[M+HCOO]- 349.14185 190.9
[M+CH3COO]- 363.15750 182.2
[M+Na-2H]- 325.11832 180.5
[M]+ 304.14310 174.5
[M]- 304.14420 174.5
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.