CID 5801570

Nsc640590

Structural Information

Molecular Formula
C15H14N4O4S
SMILES
CC1=C(SC(=N1)NNC(=O)C)C(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C15H14N4O4S/c1-9-14(24-15(16-9)18-17-10(2)20)13(21)7-6-11-4-3-5-12(8-11)19(22)23/h3-8H,1-2H3,(H,16,18)(H,17,20)/b7-6+
InChIKey
ONQVBEOFGINRMN-VOTSOKGWSA-N
Compound name
N'-[4-methyl-5-[(E)-3-(3-nitrophenyl)prop-2-enoyl]-1,3-thiazol-2-yl]acetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.07358 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.08086 177.4
[M+Na]+ 369.06280 182.3
[M-H]- 345.06630 183.2
[M+NH4]+ 364.10740 189.6
[M+K]+ 385.03674 173.8
[M+H-H2O]+ 329.07084 173.4
[M+HCOO]- 391.07178 197.4
[M+CH3COO]- 405.08743 207.3
[M+Na-2H]- 367.04825 179.1
[M]+ 346.07303 177.2
[M]- 346.07413 177.2
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.