CID 5271113

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

Structural Information

Molecular Formula
C13H15N5O2
SMILES
CN1C2=CC=CC=C2C3=C1N=C(N=N3)NCC(CO)O
InChI
InChI=1S/C13H15N5O2/c1-18-10-5-3-2-4-9(10)11-12(18)15-13(17-16-11)14-6-8(20)7-19/h2-5,8,19-20H,6-7H2,1H3,(H,14,15,17)
InChIKey
VNHYBUFUAXKWCD-UHFFFAOYSA-N
Compound name
3-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)amino]propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

273.1226 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.12988 161.2
[M+Na]+ 296.11182 171.1
[M-H]- 272.11532 159.8
[M+NH4]+ 291.15642 174.6
[M+K]+ 312.08576 165.9
[M+H-H2O]+ 256.11986 152.5
[M+HCOO]- 318.12080 178.4
[M+CH3COO]- 332.13645 171.6
[M+Na-2H]- 294.09727 168.2
[M]+ 273.12205 163.5
[M]- 273.12315 163.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.