CID 6865137

N'-(3-(2-nitrophenyl)-2-propenylidene)-2-thiophenecarbohydrazide

Structural Information

Molecular Formula
C14H11N3O3S
SMILES
C1=CC=C(C(=C1)/C=C/C=N/NC(=O)C2=CC=CS2)[N+](=O)[O-]
InChI
InChI=1S/C14H11N3O3S/c18-14(13-8-4-10-21-13)16-15-9-3-6-11-5-1-2-7-12(11)17(19)20/h1-10H,(H,16,18)/b6-3+,15-9+
InChIKey
APNMOOQPFHLKOS-AYRRQIOMSA-N
Compound name
N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]thiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

301.05212 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.05940 168.0
[M+Na]+ 324.04134 172.9
[M-H]- 300.04484 175.9
[M+NH4]+ 319.08594 183.8
[M+K]+ 340.01528 164.5
[M+H-H2O]+ 284.04938 164.2
[M+HCOO]- 346.05032 191.9
[M+CH3COO]- 360.06597 198.4
[M+Na-2H]- 322.02679 171.8
[M]+ 301.05157 167.3
[M]- 301.05267 167.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.