CID 5271117

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

Structural Information

Molecular Formula
C16H21N5O
SMILES
CN1C2=CC=CC=C2C3=C1N=C(N=N3)NCCCCCCO
InChI
InChI=1S/C16H21N5O/c1-21-13-9-5-4-8-12(13)14-15(21)18-16(20-19-14)17-10-6-2-3-7-11-22/h4-5,8-9,22H,2-3,6-7,10-11H2,1H3,(H,17,18,20)
InChIKey
NDZJIDDGICXDPF-UHFFFAOYSA-N
Compound name
6-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)amino]hexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

299.17462 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.181896 171.4
[M+Na]+ 322.163838 180.9
[M-H]- 298.167344 170.6
[M+NH4]+ 317.208443 184.6
[M+K]+ 338.137778 174.6
[M+H-H2O]+ 282.171880 161.7
[M+HCOO]- 344.172821 189.8
[M+CH3COO]- 358.188471 181.4
[M+Na-2H]- 320.149286 178.2
[M]+ 299.17407142 175.6
[M]- 299.17516858 175.6
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.