CID 5272176

2-methyl-4-[(methyl[?]yl)amino]butan-2-ol

Structural Information

Molecular Formula
C15H20N5O
SMILES
CC(C)(CCN[N+]1=NC2=C(N=C1)N(C3=CC=CC=C32)C)O
InChI
InChI=1S/C15H20N5O/c1-15(2,21)8-9-17-20-10-16-14-13(18-20)11-6-4-5-7-12(11)19(14)3/h4-7,10,21H,8-9H2,1-3H3,(H,17,18)/q+1
InChIKey
OSECXMSZPISINX-UHFFFAOYSA-N
Compound name
2-methyl-4-[(5-methyl-[1,2,4]triazino[5,6-b]indol-2-ium-2-yl)amino]butan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

286.16678 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.17406 169.8
[M+Na]+ 309.15600 179.7
[M-H]- 285.15950 169.9
[M+NH4]+ 304.20060 183.3
[M+K]+ 325.12994 168.8
[M+H-H2O]+ 269.16404 163.7
[M+HCOO]- 331.16498 186.5
[M+CH3COO]- 345.18063 196.6
[M+Na-2H]- 307.14145 180.8
[M]+ 286.16623 171.8
[M]- 286.16733 171.8
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.