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

literature stripe

Patent stripe

patents stripe