CID 3055590

Benzamide, 3-chloro-n-(3-(1h-indol-3-yl)propyl)-

Structural Information

Molecular Formula
C18H17ClN2O
SMILES
C1=CC=C2C(=C1)C(=CN2)CCCNC(=O)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C18H17ClN2O/c19-15-7-3-5-13(11-15)18(22)20-10-4-6-14-12-21-17-9-2-1-8-16(14)17/h1-3,5,7-9,11-12,21H,4,6,10H2,(H,20,22)
InChIKey
IJCRRJXGKHUUFF-UHFFFAOYSA-N
Compound name
3-chloro-N-[3-(1H-indol-3-yl)propyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.10294 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.110216 172.4
[M+Na]+ 335.092158 180.9
[M-H]- 311.095664 177.4
[M+NH4]+ 330.136763 188.4
[M+K]+ 351.066098 173.0
[M+H-H2O]+ 295.100200 164.7
[M+HCOO]- 357.101141 190.4
[M+CH3COO]- 371.116791 183.4
[M+Na-2H]- 333.077606 176.5
[M]+ 312.10239142 174.9
[M]- 312.10348858 174.9
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.