CID 13312897

91532-12-6

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 186.7
[M+Na]+ 372.17947 203.0
[M+NH4]+ 367.22407 193.4
[M+K]+ 388.15341 193.7
[M-H]- 348.18297 191.2
[M+Na-2H]- 370.16492 195.8
[M]+ 349.18970 190.3
[M]- 349.19080 190.3
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.