CID 21116628

Ns00049290

Structural Information

Molecular Formula
C16H17ClN2O
SMILES
C1=CC=C(C=C1)C(=O)NCCNCC2=CC=C(C=C2)Cl
InChI
InChI=1S/C16H17ClN2O/c17-15-8-6-13(7-9-15)12-18-10-11-19-16(20)14-4-2-1-3-5-14/h1-9,18H,10-12H2,(H,19,20)
InChIKey
ODAVENSIVQSUOM-UHFFFAOYSA-N
Compound name
N-[2-[(4-chlorophenyl)methylamino]ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.10294 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.110216 166.4
[M+Na]+ 311.092158 172.2
[M-H]- 287.095664 172.4
[M+NH4]+ 306.136763 181.9
[M+K]+ 327.066098 166.3
[M+H-H2O]+ 271.100200 158.9
[M+HCOO]- 333.101141 187.0
[M+CH3COO]- 347.116791 204.1
[M+Na-2H]- 309.077606 171.7
[M]+ 288.10239142 167.5
[M]- 288.10348858 167.5
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.