CID 135568401

Brn 4565103

Structural Information

Molecular Formula
C21H18ClN3O2
SMILES
CC1=CC=CC=C1NC2=C(C=CC(=C2)Cl)C(=O)N/N=C/C3=CC=C(C=C3)O
InChI
InChI=1S/C21H18ClN3O2/c1-14-4-2-3-5-19(14)24-20-12-16(22)8-11-18(20)21(27)25-23-13-15-6-9-17(26)10-7-15/h2-13,24,26H,1H3,(H,25,27)/b23-13+
InChIKey
BHGPOWWMQCTKDI-YDZHTSKRSA-N
Compound name
4-chloro-N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(2-methylanilino)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.10876 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.11604 190.4
[M+Na]+ 402.09798 197.3
[M-H]- 378.10148 200.2
[M+NH4]+ 397.14258 202.0
[M+K]+ 418.07192 190.4
[M+H-H2O]+ 362.10602 181.1
[M+HCOO]- 424.10696 211.9
[M+CH3COO]- 438.12261 224.6
[M+Na-2H]- 400.08343 193.9
[M]+ 379.10821 192.0
[M]- 379.10931 192.0
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.