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]+ 350.19753 188.4
[M+Na]+ 372.17947 194.7
[M-H]- 348.18297 190.7
[M+NH4]+ 367.22407 194.4
[M+K]+ 388.15341 186.7
[M+H-H2O]+ 332.18751 174.1
[M+HCOO]- 394.18845 200.3
[M+CH3COO]- 408.20410 195.3
[M+Na-2H]- 370.16492 193.1
[M]+ 349.18970 185.0
[M]- 349.19080 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.