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]+ 270.171306 165.0
[M+Na]+ 292.153248 175.2
[M-H]- 268.156754 165.8
[M+NH4]+ 287.197853 180.1
[M+K]+ 308.127188 169.8
[M+H-H2O]+ 252.161290 155.4
[M+HCOO]- 314.162231 184.0
[M+CH3COO]- 328.177881 176.1
[M+Na-2H]- 290.138696 171.4
[M]+ 269.16348142 168.6
[M]- 269.16457858 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

literature stripe

Patent stripe

No patent data available for this compound.