CID 5271132

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

Structural Information

Molecular Formula
C15H18N6O
SMILES
CC(=O)NCCCNC1=NC2=C(C3=CC=CC=C3N2C)N=N1
InChI
InChI=1S/C15H18N6O/c1-10(22)16-8-5-9-17-15-18-14-13(19-20-15)11-6-3-4-7-12(11)21(14)2/h3-4,6-7H,5,8-9H2,1-2H3,(H,16,22)(H,17,18,20)
InChIKey
OGPZSGKKVSJIHJ-UHFFFAOYSA-N
Compound name
N-[3-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)amino]propyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

298.1542 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.16148 169.4
[M+Na]+ 321.14342 178.9
[M-H]- 297.14692 170.4
[M+NH4]+ 316.18802 182.9
[M+K]+ 337.11736 173.6
[M+H-H2O]+ 281.15146 159.6
[M+HCOO]- 343.15240 189.9
[M+CH3COO]- 357.16805 179.9
[M+Na-2H]- 319.12887 176.9
[M]+ 298.15365 173.1
[M]- 298.15475 173.1
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.