CID 719608

4927-80-4

Structural Information

Molecular Formula
C16H17ClN2O
SMILES
CNC1=C(C=C(C=C1)Cl)C(=O)NCCC2=CC=CC=C2
InChI
InChI=1S/C16H17ClN2O/c1-18-15-8-7-13(17)11-14(15)16(20)19-10-9-12-5-3-2-4-6-12/h2-8,11,18H,9-10H2,1H3,(H,19,20)
InChIKey
XFIBBPVYTCDNEZ-UHFFFAOYSA-N
Compound name
5-chloro-2-(methylamino)-N-(2-phenylethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.10294 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.11022 166.7
[M+Na]+ 311.09216 173.5
[M-H]- 287.09566 173.1
[M+NH4]+ 306.13676 182.6
[M+K]+ 327.06610 167.6
[M+H-H2O]+ 271.10020 159.4
[M+HCOO]- 333.10114 187.4
[M+CH3COO]- 347.11679 205.3
[M+Na-2H]- 309.07761 171.2
[M]+ 288.10239 168.2
[M]- 288.10349 168.2
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

patents stripe