CID 38456

Brn 2866253

Structural Information

Molecular Formula
C19H20ClNO
SMILES
C1CCC(C1)(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3Cl
InChI
InChI=1S/C19H20ClNO/c20-17-11-5-4-10-16(17)18(22)21-19(12-6-7-13-19)14-15-8-2-1-3-9-15/h1-5,8-11H,6-7,12-14H2,(H,21,22)
InChIKey
NCUUPBRXPVEJJP-UHFFFAOYSA-N
Compound name
N-(1-benzylcyclopentyl)-2-chlorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.12335 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.13063 175.7
[M+Na]+ 336.11257 181.4
[M-H]- 312.11607 184.7
[M+NH4]+ 331.15717 193.8
[M+K]+ 352.08651 174.8
[M+H-H2O]+ 296.12061 168.0
[M+HCOO]- 358.12155 193.6
[M+CH3COO]- 372.13720 186.5
[M+Na-2H]- 334.09802 177.7
[M]+ 313.12280 174.2
[M]- 313.12390 174.2
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.