CID 5271130

2,2-dimethyl-3-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)amino]propan-1-ol

Structural Information

Molecular Formula
C15H19N5O
SMILES
CC(C)(CNC1=NC2=C(C3=CC=CC=C3N2C)N=N1)CO
InChI
InChI=1S/C15H19N5O/c1-15(2,9-21)8-16-14-17-13-12(18-19-14)10-6-4-5-7-11(10)20(13)3/h4-7,21H,8-9H2,1-3H3,(H,16,17,19)
InChIKey
RGGMHENBWJOLGA-UHFFFAOYSA-N
Compound name
2,2-dimethyl-3-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)amino]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

285.15897 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.16625 170.4
[M+Na]+ 308.14819 180.7
[M-H]- 284.15169 170.2
[M+NH4]+ 303.19279 184.3
[M+K]+ 324.12213 175.1
[M+H-H2O]+ 268.15623 161.7
[M+HCOO]- 330.15717 187.4
[M+CH3COO]- 344.17282 180.9
[M+Na-2H]- 306.13364 178.4
[M]+ 285.15842 173.7
[M]- 285.15952 173.7
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.