CID 45051058

853348-50-2

Structural Information

Molecular Formula
C20H15Cl2NO2
SMILES
CC1=C(C=CC=C1Cl)NC(=O)/C=C/C2=CC=C(O2)C3=CC=CC=C3Cl
InChI
InChI=1S/C20H15Cl2NO2/c1-13-16(21)7-4-8-18(13)23-20(24)12-10-14-9-11-19(25-14)15-5-2-3-6-17(15)22/h2-12H,1H3,(H,23,24)/b12-10+
InChIKey
QKTAJZNJOZAREV-ZRDIBKRKSA-N
Compound name
(E)-N-(3-chloro-2-methylphenyl)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.04797 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.05525 189.6
[M+Na]+ 394.03719 199.2
[M-H]- 370.04069 199.7
[M+NH4]+ 389.08179 203.5
[M+K]+ 410.01113 192.0
[M+H-H2O]+ 354.04523 182.5
[M+HCOO]- 416.04617 204.1
[M+CH3COO]- 430.06182 200.6
[M+Na-2H]- 392.02264 189.5
[M]+ 371.04742 194.9
[M]- 371.04852 194.9
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.