CID 5271129

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

Structural Information

Molecular Formula
C20H21N5O
SMILES
CC(CNC1=NC2=C(C3=CC=CC=C3N2C)N=N1)(CO)C4=CC=CC=C4
InChI
InChI=1S/C20H21N5O/c1-20(13-26,14-8-4-3-5-9-14)12-21-19-22-18-17(23-24-19)15-10-6-7-11-16(15)25(18)2/h3-11,26H,12-13H2,1-2H3,(H,21,22,24)
InChIKey
MDGWBEWFFCDFOF-UHFFFAOYSA-N
Compound name
2-methyl-3-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)amino]-2-phenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

347.17462 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.18190 185.6
[M+Na]+ 370.16384 194.7
[M-H]- 346.16734 188.2
[M+NH4]+ 365.20844 196.1
[M+K]+ 386.13778 187.3
[M+H-H2O]+ 330.17188 175.0
[M+HCOO]- 392.17282 202.0
[M+CH3COO]- 406.18847 194.7
[M+Na-2H]- 368.14929 193.4
[M]+ 347.17407 187.8
[M]- 347.17517 187.8
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.