CID 213628

Brn 0496665

Structural Information

Molecular Formula
C23H27N3O
SMILES
CC1=CC=CC=C1C(=O)NC2CCN(CC2)CCC3=CNC4=CC=CC=C43
InChI
InChI=1S/C23H27N3O/c1-17-6-2-3-7-20(17)23(27)25-19-11-14-26(15-12-19)13-10-18-16-24-22-9-5-4-8-21(18)22/h2-9,16,19,24H,10-15H2,1H3,(H,25,27)
InChIKey
KPDYGWUSEQNUTC-UHFFFAOYSA-N
Compound name
N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-2-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

361.21542 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.22270 188.3
[M+Na]+ 384.20464 192.7
[M-H]- 360.20814 194.1
[M+NH4]+ 379.24924 199.3
[M+K]+ 400.17858 185.2
[M+H-H2O]+ 344.21268 177.6
[M+HCOO]- 406.21362 204.7
[M+CH3COO]- 420.22927 196.3
[M+Na-2H]- 382.19009 189.0
[M]+ 361.21487 184.1
[M]- 361.21597 184.1
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