CID 6863418

Mls000584400

Structural Information

Molecular Formula
C16H16ClN3O
SMILES
CN(C)C1=CC=C(C=C1)/C=N/NC(=O)C2=CC=CC=C2Cl
InChI
InChI=1S/C16H16ClN3O/c1-20(2)13-9-7-12(8-10-13)11-18-19-16(21)14-5-3-4-6-15(14)17/h3-11H,1-2H3,(H,19,21)/b18-11+
InChIKey
PMAPSVKQSNRJJO-WOJGMQOQSA-N
Compound name
2-chloro-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

301.09818 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.10546 170.8
[M+Na]+ 324.08740 177.6
[M-H]- 300.09090 180.0
[M+NH4]+ 319.13200 187.1
[M+K]+ 340.06134 173.4
[M+H-H2O]+ 284.09544 162.6
[M+HCOO]- 346.09638 194.6
[M+CH3COO]- 360.11203 214.7
[M+Na-2H]- 322.07285 175.3
[M]+ 301.09763 174.0
[M]- 301.09873 174.0
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.