CID 369033

Nsc640562

Structural Information

Molecular Formula
C17H18N4O3S
SMILES
CC1=C(SC(=N1)NNC(=O)C)C(=O)C=CC2=CC=C(C=C2)NC(=O)C
InChI
InChI=1S/C17H18N4O3S/c1-10-16(25-17(18-10)21-20-12(3)23)15(24)9-6-13-4-7-14(8-5-13)19-11(2)22/h4-9H,1-3H3,(H,18,21)(H,19,22)(H,20,23)
InChIKey
KYHRNORUBPIMGG-UHFFFAOYSA-N
Compound name
N-[4-[3-[2-(2-acetylhydrazinyl)-4-methyl-1,3-thiazol-5-yl]-3-oxoprop-1-enyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.10995 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.11723 185.1
[M+Na]+ 381.09917 190.3
[M-H]- 357.10267 190.8
[M+NH4]+ 376.14377 197.6
[M+K]+ 397.07311 185.8
[M+H-H2O]+ 341.10721 176.4
[M+HCOO]- 403.10815 203.9
[M+CH3COO]- 417.12380 219.6
[M+Na-2H]- 379.08462 183.1
[M]+ 358.10940 187.1
[M]- 358.11050 187.1
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.