CID 369295

Nsc641045

Structural Information

Molecular Formula
C23H26Cl2N2O4
SMILES
CCCCCC=C(C1=CC(=C(C(=C1)Cl)OC)C(=O)N)C2=CC(=C(C(=C2)Cl)OC)C(=O)N
InChI
InChI=1S/C23H26Cl2N2O4/c1-4-5-6-7-8-15(13-9-16(22(26)28)20(30-2)18(24)11-13)14-10-17(23(27)29)21(31-3)19(25)12-14/h8-12H,4-7H2,1-3H3,(H2,26,28)(H2,27,29)
InChIKey
QRDHXPQKCFPSQK-UHFFFAOYSA-N
Compound name
5-[1-(3-carbamoyl-5-chloro-4-methoxyphenyl)hept-1-enyl]-3-chloro-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

464.12695 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.13423 210.1
[M+Na]+ 487.11617 217.3
[M-H]- 463.11967 215.4
[M+NH4]+ 482.16077 219.5
[M+K]+ 503.09011 210.8
[M+H-H2O]+ 447.12421 203.5
[M+HCOO]- 509.12515 221.3
[M+CH3COO]- 523.14080 240.5
[M+Na-2H]- 485.10162 203.6
[M]+ 464.12640 217.0
[M]- 464.12750 217.0
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.