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]+ 287.16148 164.1
[M+Na]+ 309.14342 173.7
[M-H]- 285.14692 163.8
[M+NH4]+ 304.18802 177.6
[M+K]+ 325.11736 167.9
[M+H-H2O]+ 269.15146 154.6
[M+HCOO]- 331.15240 184.4
[M+CH3COO]- 345.16805 174.6
[M+Na-2H]- 307.12887 173.0
[M]+ 286.15365 167.1
[M]- 286.15475 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.