CID 3062111

(z)-2-(((5-chloro-2-(methylamino)phenyl)phenylmethylene)amino)acetamide

Structural Information

Molecular Formula
C16H16ClN3O
SMILES
CNC1=C(C=C(C=C1)Cl)C(=NCC(=O)N)C2=CC=CC=C2
InChI
InChI=1S/C16H16ClN3O/c1-19-14-8-7-12(17)9-13(14)16(20-10-15(18)21)11-5-3-2-4-6-11/h2-9,19H,10H2,1H3,(H2,18,21)
InChIKey
VBJVYVZSPWCUGS-UHFFFAOYSA-N
Compound name
2-[[[5-chloro-2-(methylamino)phenyl]-phenylmethylidene]amino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.09818 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.10546 170.8
[M+Na]+ 324.08740 177.1
[M-H]- 300.09090 178.1
[M+NH4]+ 319.13200 186.0
[M+K]+ 340.06134 171.8
[M+H-H2O]+ 284.09544 163.0
[M+HCOO]- 346.09638 192.5
[M+CH3COO]- 360.11203 212.3
[M+Na-2H]- 322.07285 173.8
[M]+ 301.09763 171.2
[M]- 301.09873 171.2
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.