CID 5271110

N-isopentyl-5-methyl-[1,2,4]triazino[5,6-b]indol-3-amine

Structural Information

Molecular Formula
C15H19N5
SMILES
CC(C)CCNC1=NC2=C(C3=CC=CC=C3N2C)N=N1
InChI
InChI=1S/C15H19N5/c1-10(2)8-9-16-15-17-14-13(18-19-15)11-6-4-5-7-12(11)20(14)3/h4-7,10H,8-9H2,1-3H3,(H,16,17,19)
InChIKey
DUGGPHIQTSYJGG-UHFFFAOYSA-N
Compound name
5-methyl-N-(3-methylbutyl)-[1,2,4]triazino[5,6-b]indol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

269.16403 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.17131 165.0
[M+Na]+ 292.15325 175.2
[M-H]- 268.15675 165.8
[M+NH4]+ 287.19785 180.1
[M+K]+ 308.12719 169.8
[M+H-H2O]+ 252.16129 155.4
[M+HCOO]- 314.16223 184.0
[M+CH3COO]- 328.17788 176.1
[M+Na-2H]- 290.13870 171.4
[M]+ 269.16348 168.6
[M]- 269.16458 168.6
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.