CID 53358422

Cym50358

Structural Information

Molecular Formula
C20H18Cl2N2O2
SMILES
CC1=CC(=CC(=C1NC(=O)C2=CC=C(O2)C3=C(C=CC(=C3)Cl)Cl)C)CN
InChI
InChI=1S/C20H18Cl2N2O2/c1-11-7-13(10-23)8-12(2)19(11)24-20(25)18-6-5-17(26-18)15-9-14(21)3-4-16(15)22/h3-9H,10,23H2,1-2H3,(H,24,25)
InChIKey
QWJOPXDAQCDRRM-UHFFFAOYSA-N
Compound name
N-[4-(aminomethyl)-2,6-dimethylphenyl]-5-(2,5-dichlorophenyl)furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

388.07452 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.08180 196.1
[M+Na]+ 411.06374 206.1
[M-H]- 387.06724 206.3
[M+NH4]+ 406.10834 209.2
[M+K]+ 427.03768 199.4
[M+H-H2O]+ 371.07178 189.1
[M+HCOO]- 433.07272 210.7
[M+CH3COO]- 447.08837 223.5
[M+Na-2H]- 409.04919 194.1
[M]+ 388.07397 201.4
[M]- 388.07507 201.4
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

No patent data available for this compound.