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]+ 302.059396 168.0
[M+Na]+ 324.041338 172.9
[M-H]- 300.044844 175.9
[M+NH4]+ 319.085943 183.8
[M+K]+ 340.015278 164.5
[M+H-H2O]+ 284.049380 164.2
[M+HCOO]- 346.050321 191.9
[M+CH3COO]- 360.065971 198.4
[M+Na-2H]- 322.026786 171.8
[M]+ 301.05157142 167.3
[M]- 301.05266858 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.