CID 369248

Nsc640979

Structural Information

Molecular Formula
C18H20N4O5S
SMILES
CCOC1=CC=C(C=C1)NC(=O)C(=O)CC(=O)C2=C(N=C(S2)NNC(=O)C)C
InChI
InChI=1S/C18H20N4O5S/c1-4-27-13-7-5-12(6-8-13)20-17(26)15(25)9-14(24)16-10(2)19-18(28-16)22-21-11(3)23/h5-8H,4,9H2,1-3H3,(H,19,22)(H,20,26)(H,21,23)
InChIKey
BYXIQYXCBASOHQ-UHFFFAOYSA-N
Compound name
4-[2-(2-acetylhydrazinyl)-4-methyl-1,3-thiazol-5-yl]-N-(4-ethoxyphenyl)-2,4-dioxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.11545 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.12273 194.2
[M+Na]+ 427.10467 197.9
[M-H]- 403.10817 199.7
[M+NH4]+ 422.14927 204.4
[M+K]+ 443.07861 195.3
[M+H-H2O]+ 387.11271 185.2
[M+HCOO]- 449.11365 212.0
[M+CH3COO]- 463.12930 228.6
[M+Na-2H]- 425.09012 191.5
[M]+ 404.11490 198.8
[M]- 404.11600 198.8
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.