CID 56088

90619-37-7

Structural Information

Molecular Formula
C22H29N3O2
SMILES
CC1=CC=C(C=C1)N2CCN(CC2)CCCN3C(=O)C4CC=CCC4C3=O
InChI
InChI=1S/C22H29N3O2/c1-17-7-9-18(10-8-17)24-15-13-23(14-16-24)11-4-12-25-21(26)19-5-2-3-6-20(19)22(25)27/h2-3,7-10,19-20H,4-6,11-16H2,1H3
InChIKey
SVSJQAFPAIAYQW-UHFFFAOYSA-N
Compound name
2-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.22598 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.23326 193.7
[M+Na]+ 390.21520 205.6
[M+NH4]+ 385.25980 200.6
[M+K]+ 406.18914 199.2
[M-H]- 366.21870 197.7
[M+Na-2H]- 388.20065 197.8
[M]+ 367.22543 196.3
[M]- 367.22653 196.3
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.