CID 5271115

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

Structural Information

Molecular Formula
C14H18N6O
SMILES
CN1C2=CC=CC=C2C3=C1N=C(N=N3)NCCNCCO
InChI
InChI=1S/C14H18N6O/c1-20-11-5-3-2-4-10(11)12-13(20)17-14(19-18-12)16-7-6-15-8-9-21/h2-5,15,21H,6-9H2,1H3,(H,16,17,19)
InChIKey
IMDVYUZBFLQCBU-UHFFFAOYSA-N
Compound name
2-[2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)amino]ethylamino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

286.1542 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.161476 164.1
[M+Na]+ 309.143418 173.7
[M-H]- 285.146924 163.8
[M+NH4]+ 304.188023 177.6
[M+K]+ 325.117358 167.9
[M+H-H2O]+ 269.151460 154.6
[M+HCOO]- 331.152401 184.4
[M+CH3COO]- 345.168051 174.6
[M+Na-2H]- 307.128866 173.0
[M]+ 286.15365142 167.1
[M]- 286.15474858 167.1
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.