CID 5799348

Nsc647604

Structural Information

Molecular Formula
C15H16N6O3S
SMILES
CC1=C(SC(=N1)NNC(=O)C)/C(=N/N)/C=C/C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C15H16N6O3S/c1-9-14(25-15(17-9)20-19-10(2)22)13(18-16)8-5-11-3-6-12(7-4-11)21(23)24/h3-8H,16H2,1-2H3,(H,17,20)(H,19,22)/b8-5+,18-13+
InChIKey
IQHTWDZGXYNLKW-XKKIXLAPSA-N
Compound name
N'-[4-methyl-5-[(E)-3-(4-nitrophenyl)prop-2-enehydrazonoyl]-1,3-thiazol-2-yl]acetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.10046 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.10774 178.7
[M+Na]+ 383.08968 182.3
[M-H]- 359.09318 185.0
[M+NH4]+ 378.13428 190.1
[M+K]+ 399.06362 173.8
[M+H-H2O]+ 343.09772 173.5
[M+HCOO]- 405.09866 201.1
[M+CH3COO]- 419.11431 216.5
[M+Na-2H]- 381.07513 181.4
[M]+ 360.09991 176.3
[M]- 360.10101 176.3
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.