CID 6862333

N'-(2,5-dimethoxybenzylidene)-3-(3-nitrophenyl)-1h-pyrazole-5-carbohydrazide

Structural Information

Molecular Formula
C19H17N5O5
SMILES
COC1=CC(=C(C=C1)OC)/C=N/NC(=O)C2=CC(=NN2)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C19H17N5O5/c1-28-15-6-7-18(29-2)13(9-15)11-20-23-19(25)17-10-16(21-22-17)12-4-3-5-14(8-12)24(26)27/h3-11H,1-2H3,(H,21,22)(H,23,25)/b20-11+
InChIKey
DALXFCSYKDLNNS-RGVLZGJSSA-N
Compound name
N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-3-(3-nitrophenyl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.12296 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.13024 188.3
[M+Na]+ 418.11218 192.8
[M-H]- 394.11568 196.2
[M+NH4]+ 413.15678 196.2
[M+K]+ 434.08612 184.8
[M+H-H2O]+ 378.12022 181.6
[M+HCOO]- 440.12116 213.1
[M+CH3COO]- 454.13681 218.1
[M+Na-2H]- 416.09763 193.6
[M]+ 395.12241 188.5
[M]- 395.12351 188.5
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.