CID 376965

Nsc658165

Structural Information

Molecular Formula
C21H20Br2N2O2
SMILES
C1CCC(CC1)NC2=C(C3=C(O2)C=CC(=C3)Br)N=CC4=C(C=CC(=C4)Br)O
InChI
InChI=1S/C21H20Br2N2O2/c22-14-6-8-18(26)13(10-14)12-24-20-17-11-15(23)7-9-19(17)27-21(20)25-16-4-2-1-3-5-16/h6-12,16,25-26H,1-5H2
InChIKey
DAWWAPUPNAZLOX-UHFFFAOYSA-N
Compound name
4-bromo-2-[[5-bromo-2-(cyclohexylamino)-1-benzofuran-3-yl]iminomethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

489.98914 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 490.99642 195.7
[M+Na]+ 512.97836 203.0
[M-H]- 488.98186 207.3
[M+NH4]+ 508.02296 208.6
[M+K]+ 528.95230 188.2
[M+H-H2O]+ 472.98640 201.0
[M+HCOO]- 534.98734 209.9
[M+CH3COO]- 549.00299 205.9
[M+Na-2H]- 510.96381 198.0
[M]+ 489.98859 228.0
[M]- 489.98969 228.0
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.