CID 302043

3-[(8-chloro-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)amino]propan-1-ol

Structural Information

Molecular Formula
C13H14ClN5O
SMILES
CN1C2=C(C=C(C=C2)Cl)C3=C1N=C(N=N3)NCCCO
InChI
InChI=1S/C13H14ClN5O/c1-19-10-4-3-8(14)7-9(10)11-12(19)16-13(18-17-11)15-5-2-6-20/h3-4,7,20H,2,5-6H2,1H3,(H,15,16,18)
InChIKey
HPXMPGNCORLQIK-UHFFFAOYSA-N
Compound name
3-[(8-chloro-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

1
References

0
Patents

291.08868 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.09596 165.0
[M+Na]+ 314.07790 177.4
[M-H]- 290.08140 164.7
[M+NH4]+ 309.12250 179.6
[M+K]+ 330.05184 170.3
[M+H-H2O]+ 274.08594 156.3
[M+HCOO]- 336.08688 179.6
[M+CH3COO]- 350.10253 176.1
[M+Na-2H]- 312.06335 171.9
[M]+ 291.08813 170.4
[M]- 291.08923 170.4
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.