CID 13312897

3-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,3-benzotriazin-4-one

Structural Information

Molecular Formula
C20H23N5O
SMILES
C1CN(CCN1CCCN2C(=O)C3=CC=CC=C3N=N2)C4=CC=CC=C4
InChI
InChI=1S/C20H23N5O/c26-20-18-9-4-5-10-19(18)21-22-25(20)12-6-11-23-13-15-24(16-14-23)17-7-2-1-3-8-17/h1-5,7-10H,6,11-16H2
InChIKey
HSSZSFLEUKXVAC-UHFFFAOYSA-N
Compound name
3-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,3-benzotriazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.19025 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.197526 188.4
[M+Na]+ 372.179468 194.7
[M-H]- 348.182974 190.7
[M+NH4]+ 367.224073 194.4
[M+K]+ 388.153408 186.7
[M+H-H2O]+ 332.187510 174.1
[M+HCOO]- 394.188451 200.3
[M+CH3COO]- 408.204101 195.3
[M+Na-2H]- 370.164916 193.1
[M]+ 349.18970142 185.0
[M]- 349.19079858 185.0
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.