CID 5271122

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

Structural Information

Molecular Formula
C14H17N5O
SMILES
CCC(CO)NC1=NC2=C(C3=CC=CC=C3N2C)N=N1
InChI
InChI=1S/C14H17N5O/c1-3-9(8-20)15-14-16-13-12(17-18-14)10-6-4-5-7-11(10)19(13)2/h4-7,9,20H,3,8H2,1-2H3,(H,15,16,18)
InChIKey
OSBKUUMIGZYUGQ-UHFFFAOYSA-N
Compound name
2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)amino]butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

271.1433 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.150576 163.2
[M+Na]+ 294.132518 173.3
[M-H]- 270.136024 162.9
[M+NH4]+ 289.177123 177.5
[M+K]+ 310.106458 168.0
[M+H-H2O]+ 254.140560 154.1
[M+HCOO]- 316.141501 181.4
[M+CH3COO]- 330.157151 174.0
[M+Na-2H]- 292.117966 169.9
[M]+ 271.14275142 166.2
[M]- 271.14384858 166.2
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.