CID 192453

149756-69-4

Structural Information

Molecular Formula
C16H20N6
SMILES
CC1=CC2=C(C=C1)N(C3=C2N=NC(=N3)N4CCN(CC4)C)C
InChI
InChI=1S/C16H20N6/c1-11-4-5-13-12(10-11)14-15(21(13)3)17-16(19-18-14)22-8-6-20(2)7-9-22/h4-5,10H,6-9H2,1-3H3
InChIKey
YMKXKOOZXSGBGK-UHFFFAOYSA-N
Compound name
5,8-dimethyl-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

296.17496 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.18224 177.2
[M+Na]+ 319.16418 188.2
[M-H]- 295.16768 178.1
[M+NH4]+ 314.20878 188.4
[M+K]+ 335.13812 181.0
[M+H-H2O]+ 279.17222 165.2
[M+HCOO]- 341.17316 189.7
[M+CH3COO]- 355.18881 186.5
[M+Na-2H]- 317.14963 180.1
[M]+ 296.17441 177.1
[M]- 296.17551 177.1
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.