CID 13312896

(((fluoro-3 phenyl)-4 piperazinyl-1)-3 propyl)-3h-benzotriazine-1,2,3 one-4 chlorhydrate

Structural Information

Molecular Formula
C20H22FN5O
SMILES
C1CN(CCN1CCCN2C(=O)C3=CC=CC=C3N=N2)C4=CC(=CC=C4)F
InChI
InChI=1S/C20H22FN5O/c21-16-5-3-6-17(15-16)25-13-11-24(12-14-25)9-4-10-26-20(27)18-7-1-2-8-19(18)22-23-26/h1-3,5-8,15H,4,9-14H2
InChIKey
WZFIWOMNUXFHGB-UHFFFAOYSA-N
Compound name
3-[3-[4-(3-fluorophenyl)piperazin-1-yl]propyl]-1,2,3-benzotriazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.18085 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.18813 192.9
[M+Na]+ 390.17007 200.1
[M-H]- 366.17357 194.2
[M+NH4]+ 385.21467 198.3
[M+K]+ 406.14401 191.6
[M+H-H2O]+ 350.17811 177.7
[M+HCOO]- 412.17905 203.7
[M+CH3COO]- 426.19470 199.5
[M+Na-2H]- 388.15552 196.0
[M]+ 367.18030 188.9
[M]- 367.18140 188.9
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.