CID 3057685

5h-pyrazolo(3,4-c)isoquinolin-5-one, 3,4-dihydro-1,3-dimethyl-4-(2-(4-phenyl-1-piperazinyl)ethyl)-, hydrochloride

Structural Information

Molecular Formula
C24H27N5O
SMILES
CC1=NN(C2=C1C3=CC=CC=C3C(=O)N2CCN4CCN(CC4)C5=CC=CC=C5)C
InChI
InChI=1S/C24H27N5O/c1-18-22-20-10-6-7-11-21(20)24(30)29(23(22)26(2)25-18)17-14-27-12-15-28(16-13-27)19-8-4-3-5-9-19/h3-11H,12-17H2,1-2H3
InChIKey
WWJWIUMVRCKKEH-UHFFFAOYSA-N
Compound name
1,3-dimethyl-4-[2-(4-phenylpiperazin-1-yl)ethyl]pyrazolo[3,4-c]isoquinolin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

401.22156 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.22884 204.3
[M+Na]+ 424.21078 213.5
[M-H]- 400.21428 209.1
[M+NH4]+ 419.25538 211.8
[M+K]+ 440.18472 204.3
[M+H-H2O]+ 384.21882 190.5
[M+HCOO]- 446.21976 216.7
[M+CH3COO]- 460.23541 211.7
[M+Na-2H]- 422.19623 204.6
[M]+ 401.22101 204.4
[M]- 401.22211 204.4
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

patents stripe