CID 9574998

Ads-j3

Structural Information

Molecular Formula
C22H18BrN3O2
SMILES
CC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)N/N=C/C3=CC=C(C=C3)Br
InChI
InChI=1S/C22H18BrN3O2/c1-15-5-9-17(10-6-15)21(27)25-20-4-2-3-18(13-20)22(28)26-24-14-16-7-11-19(23)12-8-16/h2-14H,1H3,(H,25,27)(H,26,28)/b24-14+
InChIKey
VTKCLOKBPGGQSZ-ZVHZXABRSA-N
Compound name
N-[(E)-(4-bromophenyl)methylideneamino]-3-[(4-methylbenzoyl)amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

435.05823 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.06551 195.1
[M+Na]+ 458.04745 202.1
[M-H]- 434.05095 207.4
[M+NH4]+ 453.09205 207.3
[M+K]+ 474.02139 189.3
[M+H-H2O]+ 418.05549 190.1
[M+HCOO]- 480.05643 218.2
[M+CH3COO]- 494.07208 231.4
[M+Na-2H]- 456.03290 199.0
[M]+ 435.05768 212.5
[M]- 435.05878 212.5
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.