CID 6888173

634897-06-6

Structural Information

Molecular Formula
C24H18BrClN4O2
SMILES
C1=CC=C(C(=C1)COC2=CC=C(C=C2)C3=NNC(=C3)C(=O)N/N=C/C4=CC(=CC=C4)Br)Cl
InChI
InChI=1S/C24H18BrClN4O2/c25-19-6-3-4-16(12-19)14-27-30-24(31)23-13-22(28-29-23)17-8-10-20(11-9-17)32-15-18-5-1-2-7-21(18)26/h1-14H,15H2,(H,28,29)(H,30,31)/b27-14+
InChIKey
LBBMMXPNOUZRNZ-MZJWZYIUSA-N
Compound name
N-[(E)-(3-bromophenyl)methylideneamino]-3-[4-[(2-chlorophenyl)methoxy]phenyl]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

508.03018 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.03746 209.8
[M+Na]+ 531.01940 219.1
[M-H]- 507.02290 221.9
[M+NH4]+ 526.06400 219.1
[M+K]+ 546.99334 204.0
[M+H-H2O]+ 491.02744 204.8
[M+HCOO]- 553.02838 226.0
[M+CH3COO]- 567.04403 219.7
[M+Na-2H]- 529.00485 212.3
[M]+ 508.02963 230.2
[M]- 508.03073 230.2
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.