CID 3089484

1-(2-thienyl)ethanone 2-(2,4-dinitrophenyl)hydrazone

Structural Information

Molecular Formula
C12H10N4O4S
SMILES
CC(=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C2=CC=CS2
InChI
InChI=1S/C12H10N4O4S/c1-8(12-3-2-6-21-12)13-14-10-5-4-9(15(17)18)7-11(10)16(19)20/h2-7,14H,1H3
InChIKey
QAEJWLNSNHJIDI-UHFFFAOYSA-N
Compound name
2,4-dinitro-N-(1-thiophen-2-ylethylideneamino)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.04227 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.04955 166.6
[M+Na]+ 329.03149 170.0
[M-H]- 305.03499 174.3
[M+NH4]+ 324.07609 180.5
[M+K]+ 345.00543 158.9
[M+H-H2O]+ 289.03953 166.9
[M+HCOO]- 351.04047 190.2
[M+CH3COO]- 365.05612 196.7
[M+Na-2H]- 327.01694 172.5
[M]+ 306.04172 163.3
[M]- 306.04282 163.3
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.