CID 65699

Omidoline

Structural Information

Molecular Formula
C22H27N3O2
SMILES
CN1C(C2=CC=CC=C2C1=O)NC3=CC=C(C=C3)OCCN4CCCCC4
InChI
InChI=1S/C22H27N3O2/c1-24-21(19-7-3-4-8-20(19)22(24)26)23-17-9-11-18(12-10-17)27-16-15-25-13-5-2-6-14-25/h3-4,7-12,21,23H,2,5-6,13-16H2,1H3
InChIKey
OSRMGAHKSUHZOH-UHFFFAOYSA-N
Compound name
2-methyl-3-[4-(2-piperidin-1-ylethoxy)anilino]-3H-isoindol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

365.21033 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.217606 188.9
[M+Na]+ 388.199548 193.1
[M-H]- 364.203054 195.6
[M+NH4]+ 383.244153 200.4
[M+K]+ 404.173488 187.2
[M+H-H2O]+ 348.207590 177.8
[M+HCOO]- 410.208531 205.4
[M+CH3COO]- 424.224181 197.2
[M+Na-2H]- 386.184996 188.9
[M]+ 365.20978142 185.7
[M]- 365.21087858 185.7
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.