CID 5271105

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

Structural Information

Molecular Formula
C12H13N5O
SMILES
CN1C2=CC=CC=C2C3=C1N=C(N=N3)NCCO
InChI
InChI=1S/C12H13N5O/c1-17-9-5-3-2-4-8(9)10-11(17)14-12(16-15-10)13-6-7-18/h2-5,18H,6-7H2,1H3,(H,13,14,16)
InChIKey
RKAPKFRHLBTQNP-UHFFFAOYSA-N
Compound name
2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

243.11201 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.11929 153.7
[M+Na]+ 266.10123 165.1
[M-H]- 242.10473 153.6
[M+NH4]+ 261.14583 169.2
[M+K]+ 282.07517 159.6
[M+H-H2O]+ 226.10927 144.8
[M+HCOO]- 288.11021 173.5
[M+CH3COO]- 302.12586 165.5
[M+Na-2H]- 264.08668 162.6
[M]+ 243.11146 156.6
[M]- 243.11256 156.6
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.