CID 213641

Brn 0495363

Structural Information

Molecular Formula
C23H27N3O
SMILES
CN1C=C(C2=CC=CC=C21)CCN3CCC(CC3)NC(=O)C4=CC=CC=C4
InChI
InChI=1S/C23H27N3O/c1-25-17-19(21-9-5-6-10-22(21)25)11-14-26-15-12-20(13-16-26)24-23(27)18-7-3-2-4-8-18/h2-10,17,20H,11-16H2,1H3,(H,24,27)
InChIKey
GQOQMVPGEKGPHS-UHFFFAOYSA-N
Compound name
N-[1-[2-(1-methylindol-3-yl)ethyl]piperidin-4-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

361.21542 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.22270 188.8
[M+Na]+ 384.20464 193.6
[M-H]- 360.20814 195.8
[M+NH4]+ 379.24924 200.4
[M+K]+ 400.17858 186.9
[M+H-H2O]+ 344.21268 177.6
[M+HCOO]- 406.21362 206.7
[M+CH3COO]- 420.22927 197.4
[M+Na-2H]- 382.19009 189.7
[M]+ 361.21487 186.3
[M]- 361.21597 186.3
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

patents stripe