CID 54609

N-propyl-1,2,4-benzotriazine-3-acetamide

Structural Information

Molecular Formula
C12H14N4O
SMILES
CCCNC(=O)CC1=NC2=CC=CC=C2N=N1
InChI
InChI=1S/C12H14N4O/c1-2-7-13-12(17)8-11-14-9-5-3-4-6-10(9)15-16-11/h3-6H,2,7-8H2,1H3,(H,13,17)
InChIKey
WBVJMTOKNDAGCR-UHFFFAOYSA-N
Compound name
2-(1,2,4-benzotriazin-3-yl)-N-propylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.11676 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.12404 152.2
[M+Na]+ 253.10598 160.0
[M-H]- 229.10948 152.4
[M+NH4]+ 248.15058 166.8
[M+K]+ 269.07992 156.2
[M+H-H2O]+ 213.11402 143.0
[M+HCOO]- 275.11496 172.1
[M+CH3COO]- 289.13061 193.3
[M+Na-2H]- 251.09143 160.9
[M]+ 230.11621 153.2
[M]- 230.11731 153.2
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.