CID 315011

54852-17-4

Structural Information

Molecular Formula
C19H23ClN2O3
SMILES
C1CN(CCC1CC2(OCCO2)C3=CC4=CC=CC=C4N3)C(=O)CCl
InChI
InChI=1S/C19H23ClN2O3/c20-13-18(23)22-7-5-14(6-8-22)12-19(24-9-10-25-19)17-11-15-3-1-2-4-16(15)21-17/h1-4,11,14,21H,5-10,12-13H2
InChIKey
ZDBXPCMQPPNYOV-UHFFFAOYSA-N
Compound name
2-chloro-1-[4-[[2-(1H-indol-2-yl)-1,3-dioxolan-2-yl]methyl]piperidin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.1397 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.14698 185.2
[M+Na]+ 385.12892 191.2
[M-H]- 361.13242 192.3
[M+NH4]+ 380.17352 198.3
[M+K]+ 401.10286 187.2
[M+H-H2O]+ 345.13696 177.1
[M+HCOO]- 407.13790 193.9
[M+CH3COO]- 421.15355 194.3
[M+Na-2H]- 383.11437 184.4
[M]+ 362.13915 184.6
[M]- 362.14025 184.6
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.