CID 19959

4046-86-0

Structural Information

Molecular Formula
C13H15N5O
SMILES
CN1C2=CC=CC=C2C3=C1N=C(N=N3)NCCCO
InChI
InChI=1S/C13H15N5O/c1-18-10-6-3-2-5-9(10)11-12(18)15-13(17-16-11)14-7-4-8-19/h2-3,5-6,19H,4,7-8H2,1H3,(H,14,15,17)
InChIKey
HAFUDIVSEQDBAY-UHFFFAOYSA-N
Compound name
3-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)amino]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

257.12766 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.13494 158.1
[M+Na]+ 280.11688 169.1
[M-H]- 256.12038 157.9
[M+NH4]+ 275.16148 173.1
[M+K]+ 296.09082 163.4
[M+H-H2O]+ 240.12492 149.0
[M+HCOO]- 302.12586 177.6
[M+CH3COO]- 316.14151 169.5
[M+Na-2H]- 278.10233 166.5
[M]+ 257.12711 161.4
[M]- 257.12821 161.4
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.