CID 6882369

328922-22-1

Structural Information

Molecular Formula
C22H20Cl2N2O2
SMILES
CC(C)(C)C1=CC=C(C=C1)C(=O)N/N=C/C2=CC=C(O2)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C22H20Cl2N2O2/c1-22(2,3)16-7-4-14(5-8-16)21(27)26-25-13-17-9-11-20(28-17)15-6-10-18(23)19(24)12-15/h4-13H,1-3H3,(H,26,27)/b25-13+
InChIKey
KLIRWJWBKPHESD-DHRITJCHSA-N
Compound name
4-tert-butyl-N-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

414.09018 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.09746 204.4
[M+Na]+ 437.07940 213.0
[M-H]- 413.08290 215.8
[M+NH4]+ 432.12400 217.0
[M+K]+ 453.05334 206.8
[M+H-H2O]+ 397.08744 196.6
[M+HCOO]- 459.08838 219.0
[M+CH3COO]- 473.10403 228.0
[M+Na-2H]- 435.06485 205.0
[M]+ 414.08963 211.0
[M]- 414.09073 211.0
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

patents stripe