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 193.8
[M+Na]+ 429.16454 196.3
[M-H]- 405.16804 202.4
[M+NH4]+ 424.20914 201.5
[M+K]+ 445.13848 188.0
[M+H-H2O]+ 389.17258 186.5
[M+HCOO]- 451.17352 219.1
[M+CH3COO]- 465.18917 226.6
[M+Na-2H]- 427.14999 198.5
[M]+ 406.17477 192.3
[M]- 406.17587 192.3
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.