CID 213588

Brn 0498217

Structural Information

Molecular Formula
C24H29N3O2
SMILES
CC1=C(C2=C(N1)C=CC(=C2)OC)CCN3CCC(CC3)NC(=O)C4=CC=CC=C4
InChI
InChI=1S/C24H29N3O2/c1-17-21(22-16-20(29-2)8-9-23(22)25-17)12-15-27-13-10-19(11-14-27)26-24(28)18-6-4-3-5-7-18/h3-9,16,19,25H,10-15H2,1-2H3,(H,26,28)
InChIKey
ZKNDGNAJSAWTML-UHFFFAOYSA-N
Compound name
N-[1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]piperidin-4-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

391.22598 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.23326 196.3
[M+Na]+ 414.21520 200.9
[M-H]- 390.21870 202.3
[M+NH4]+ 409.25980 206.2
[M+K]+ 430.18914 194.0
[M+H-H2O]+ 374.22324 185.5
[M+HCOO]- 436.22418 212.5
[M+CH3COO]- 450.23983 204.0
[M+Na-2H]- 412.20065 195.9
[M]+ 391.22543 194.3
[M]- 391.22653 194.3
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