CID 5271123

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

Structural Information

Molecular Formula
C15H19N5O
SMILES
CCCN1C2=CC=CC=C2C3=C1N=C(N=N3)NCCCO
InChI
InChI=1S/C15H19N5O/c1-2-9-20-12-7-4-3-6-11(12)13-14(20)17-15(19-18-13)16-8-5-10-21/h3-4,6-7,21H,2,5,8-10H2,1H3,(H,16,17,19)
InChIKey
RLAWPSOCQWEINO-UHFFFAOYSA-N
Compound name
3-[(5-propyl-[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

285.15897 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.16625 167.0
[M+Na]+ 308.14819 177.0
[M-H]- 284.15169 166.4
[M+NH4]+ 303.19279 180.8
[M+K]+ 324.12213 170.9
[M+H-H2O]+ 268.15623 157.5
[M+HCOO]- 330.15717 185.8
[M+CH3COO]- 344.17282 177.4
[M+Na-2H]- 306.13364 174.3
[M]+ 285.15842 170.9
[M]- 285.15952 170.9
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.