CID 3062109

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

Structural Information

Molecular Formula
C17H18ClN3O
SMILES
CN(C)C1=C(C=C(C=C1)Cl)C(=NCC(=O)N)C2=CC=CC=C2
InChI
InChI=1S/C17H18ClN3O/c1-21(2)15-9-8-13(18)10-14(15)17(20-11-16(19)22)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H2,19,22)
InChIKey
NDVGCHYONIKOJX-UHFFFAOYSA-N
Compound name
2-[[[5-chloro-2-(dimethylamino)phenyl]-phenylmethylidene]amino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.11383 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.12111 175.7
[M+Na]+ 338.10305 181.7
[M-H]- 314.10655 184.3
[M+NH4]+ 333.14765 191.0
[M+K]+ 354.07699 177.6
[M+H-H2O]+ 298.11109 167.6
[M+HCOO]- 360.11203 197.6
[M+CH3COO]- 374.12768 218.6
[M+Na-2H]- 336.08850 177.4
[M]+ 315.11328 177.8
[M]- 315.11438 177.8
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.