CID 6889052

634897-37-3

Structural Information

Molecular Formula
C24H18ClN5O4
SMILES
C1=CC=C(C(=C1)COC2=CC=C(C=C2)C3=NNC(=C3)C(=O)N/N=C/C4=CC=C(C=C4)[N+](=O)[O-])Cl
InChI
InChI=1S/C24H18ClN5O4/c25-21-4-2-1-3-18(21)15-34-20-11-7-17(8-12-20)22-13-23(28-27-22)24(31)29-26-14-16-5-9-19(10-6-16)30(32)33/h1-14H,15H2,(H,27,28)(H,29,31)/b26-14+
InChIKey
LFBULAJXASFMOP-VULFUBBASA-N
Compound name
3-[4-[(2-chlorophenyl)methoxy]phenyl]-N-[(E)-(4-nitrophenyl)methylideneamino]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

475.10474 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.11202 210.4
[M+Na]+ 498.09396 214.0
[M-H]- 474.09746 220.2
[M+NH4]+ 493.13856 215.1
[M+K]+ 514.06790 203.0
[M+H-H2O]+ 458.10200 202.5
[M+HCOO]- 520.10294 229.4
[M+CH3COO]- 534.11859 230.3
[M+Na-2H]- 496.07941 214.4
[M]+ 475.10419 210.8
[M]- 475.10529 210.8
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.