CID 9635848

N'-(4-(diethylamino)benzylidene)-3-(3-nitrophenyl)-1h-pyrazole-5-carbohydrazide

Structural Information

Molecular Formula
C21H22N6O3
SMILES
CCN(CC)C1=CC=C(C=C1)/C=N/NC(=O)C2=CC(=NN2)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C21H22N6O3/c1-3-26(4-2)17-10-8-15(9-11-17)14-22-25-21(28)20-13-19(23-24-20)16-6-5-7-18(12-16)27(29)30/h5-14H,3-4H2,1-2H3,(H,23,24)(H,25,28)/b22-14+
InChIKey
NADOEIQHRPUNKC-HYARGMPZSA-N
Compound name
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-(3-nitrophenyl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.17532 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.18260 194.5
[M+Na]+ 429.16454 205.3
[M+NH4]+ 424.20914 199.2
[M+K]+ 445.13848 203.8
[M-H]- 405.16804 201.0
[M+Na-2H]- 427.14999 202.3
[M]+ 406.17477 197.3
[M]- 406.17587 197.3
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.