CID 369038

Nsc640567

Structural Information

Molecular Formula
C17H20N4O2S
SMILES
CC1=C(SC(=N1)NNC(=O)C)C(=O)C=CC2=CC=C(C=C2)N(C)C
InChI
InChI=1S/C17H20N4O2S/c1-11-16(24-17(18-11)20-19-12(2)22)15(23)10-7-13-5-8-14(9-6-13)21(3)4/h5-10H,1-4H3,(H,18,20)(H,19,22)
InChIKey
LZELGBDDRIRJMW-UHFFFAOYSA-N
Compound name
N'-[5-[3-[4-(dimethylamino)phenyl]prop-2-enoyl]-4-methyl-1,3-thiazol-2-yl]acetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.1307 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.13798 182.8
[M+Na]+ 367.11992 188.5
[M-H]- 343.12342 190.0
[M+NH4]+ 362.16452 196.9
[M+K]+ 383.09386 184.8
[M+H-H2O]+ 327.12796 174.0
[M+HCOO]- 389.12890 202.8
[M+CH3COO]- 403.14455 221.1
[M+Na-2H]- 365.10537 181.0
[M]+ 344.13015 186.1
[M]- 344.13125 186.1
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.