CID 9575001

Ads-j10

Structural Information

Molecular Formula
C26H18Cl2N2O2
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)/C(=N\OC(=O)NC3=CC(=C(C=C3)Cl)Cl)/C4=CC=CC=C4
InChI
InChI=1S/C26H18Cl2N2O2/c27-23-16-15-22(17-24(23)28)29-26(31)32-30-25(20-9-5-2-6-10-20)21-13-11-19(12-14-21)18-7-3-1-4-8-18/h1-17H,(H,29,31)/b30-25-
InChIKey
DLNVOWRXWURKGJ-JVCXMKTPSA-N
Compound name
[(Z)-[phenyl-(4-phenylphenyl)methylidene]amino] N-(3,4-dichlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

460.07452 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.08180 209.8
[M+Na]+ 483.06374 216.2
[M-H]- 459.06724 222.0
[M+NH4]+ 478.10834 218.6
[M+K]+ 499.03768 208.3
[M+H-H2O]+ 443.07178 199.0
[M+HCOO]- 505.07272 225.0
[M+CH3COO]- 519.08837 218.3
[M+Na-2H]- 481.04919 211.7
[M]+ 460.07397 213.6
[M]- 460.07507 213.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe