CID 5271104

2-(5h-[1,2,4]triazino[5,6-b]indol-3-ylamino)ethanol

Structural Information

Molecular Formula
C11H11N5O
SMILES
C1=CC=C2C(=C1)C3=C(N2)N=C(N=N3)NCCO
InChI
InChI=1S/C11H11N5O/c17-6-5-12-11-14-10-9(15-16-11)7-3-1-2-4-8(7)13-10/h1-4,17H,5-6H2,(H2,12,13,14,16)
InChIKey
PXUYDRFYGBDKMB-UHFFFAOYSA-N
Compound name
2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

229.09636 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.10364 147.7
[M+Na]+ 252.08558 158.3
[M-H]- 228.08908 146.2
[M+NH4]+ 247.13018 162.8
[M+K]+ 268.05952 152.2
[M+H-H2O]+ 212.09362 139.2
[M+HCOO]- 274.09456 166.5
[M+CH3COO]- 288.11021 159.1
[M+Na-2H]- 250.07103 157.7
[M]+ 229.09581 148.2
[M]- 229.09691 148.2
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.