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]+ 313.11022 172.4
[M+Na]+ 335.09216 180.9
[M-H]- 311.09566 177.4
[M+NH4]+ 330.13676 188.4
[M+K]+ 351.06610 173.0
[M+H-H2O]+ 295.10020 164.7
[M+HCOO]- 357.10114 190.4
[M+CH3COO]- 371.11679 183.4
[M+Na-2H]- 333.07761 176.5
[M]+ 312.10239 174.9
[M]- 312.10349 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.