CID 213643

Brn 0497805

Structural Information

Molecular Formula
C24H29N3O
SMILES
CC1=CC=C(C=C1)C(=O)NC2CCN(CC2)CCC3=CN(C4=CC=CC=C43)C
InChI
InChI=1S/C24H29N3O/c1-18-7-9-19(10-8-18)24(28)25-21-12-15-27(16-13-21)14-11-20-17-26(2)23-6-4-3-5-22(20)23/h3-10,17,21H,11-16H2,1-2H3,(H,25,28)
InChIKey
CPWSQHGJQQXIET-UHFFFAOYSA-N
Compound name
4-methyl-N-[1-[2-(1-methylindol-3-yl)ethyl]piperidin-4-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

375.23105 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.23833 194.0
[M+Na]+ 398.22027 199.3
[M-H]- 374.22377 201.3
[M+NH4]+ 393.26487 205.4
[M+K]+ 414.19421 192.4
[M+H-H2O]+ 358.22831 182.9
[M+HCOO]- 420.22925 211.5
[M+CH3COO]- 434.24490 202.5
[M+Na-2H]- 396.20572 193.6
[M]+ 375.23050 192.3
[M]- 375.23160 192.3
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