CID 6419118

5-methyl-3-(4-methylpiperazin-1-yl)-[1,2,4]triazino[5,6-b]indole

Structural Information

Molecular Formula
C15H18N6
SMILES
CN1CCN(CC1)C2=NC3=C(C4=CC=CC=C4N3C)N=N2
InChI
InChI=1S/C15H18N6/c1-19-7-9-21(10-8-19)15-16-14-13(17-18-15)11-5-3-4-6-12(11)20(14)2/h3-6H,7-10H2,1-2H3
InChIKey
DUJAJXNGHBXNQL-UHFFFAOYSA-N
Compound name
5-methyl-3-(4-methylpiperazin-1-yl)-[1,2,4]triazino[5,6-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

282.1593 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.16658 171.4
[M+Na]+ 305.14852 182.0
[M-H]- 281.15202 172.1
[M+NH4]+ 300.19312 182.8
[M+K]+ 321.12246 175.0
[M+H-H2O]+ 265.15656 159.3
[M+HCOO]- 327.15750 184.3
[M+CH3COO]- 341.17315 180.8
[M+Na-2H]- 303.13397 175.7
[M]+ 282.15875 170.6
[M]- 282.15985 170.6
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.