CID 3062115

(e)-(+-)-2-(((2-amino-5-chlorophenyl)phenylmethylene)amino)propanamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.09818 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.10546 171.5
[M+Na]+ 324.08740 177.5
[M-H]- 300.09090 178.4
[M+NH4]+ 319.13200 186.3
[M+K]+ 340.06134 172.4
[M+H-H2O]+ 284.09544 164.0
[M+HCOO]- 346.09638 191.6
[M+CH3COO]- 360.11203 212.7
[M+Na-2H]- 322.07285 172.2
[M]+ 301.09763 170.3
[M]- 301.09873 170.3
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.