CID 71696

Schembl1649549

Structural Information

Molecular Formula
C23H29N3O2
SMILES
CCN1C(C2=CC=CC=C2C1=O)NC3=CC(=CC=C3)OCCN4CCCCC4
InChI
InChI=1S/C23H29N3O2/c1-2-26-22(20-11-4-5-12-21(20)23(26)27)24-18-9-8-10-19(17-18)28-16-15-25-13-6-3-7-14-25/h4-5,8-12,17,22,24H,2-3,6-7,13-16H2,1H3
InChIKey
YAWSOQSXYKAXHJ-UHFFFAOYSA-N
Compound name
2-ethyl-3-[3-(2-piperidin-1-ylethoxy)anilino]-3H-isoindol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

379.22598 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.233256 193.2
[M+Na]+ 402.215198 197.0
[M-H]- 378.218704 199.7
[M+NH4]+ 397.259803 204.1
[M+K]+ 418.189138 190.8
[M+H-H2O]+ 362.223240 181.9
[M+HCOO]- 424.224181 209.4
[M+CH3COO]- 438.239831 201.0
[M+Na-2H]- 400.200646 192.7
[M]+ 379.22543142 190.4
[M]- 379.22652858 190.4
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