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]+ 300.18190 171.4
[M+Na]+ 322.16384 180.9
[M-H]- 298.16734 170.6
[M+NH4]+ 317.20844 184.6
[M+K]+ 338.13778 174.6
[M+H-H2O]+ 282.17188 161.7
[M+HCOO]- 344.17282 189.8
[M+CH3COO]- 358.18847 181.4
[M+Na-2H]- 320.14929 178.2
[M]+ 299.17407 175.6
[M]- 299.17517 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.