CID 5939022

Nsc640587

Structural Information

Molecular Formula
C24H24N6O4S2
SMILES
CC1=C(SC(=N1)NNC(=O)C)C(=O)/C=C/C2=CC=C(C=C2)/C=C/C(=O)C3=C(N=C(S3)NNC(=O)C)C
InChI
InChI=1S/C24H24N6O4S2/c1-13-21(35-23(25-13)29-27-15(3)31)19(33)11-9-17-5-7-18(8-6-17)10-12-20(34)22-14(2)26-24(36-22)30-28-16(4)32/h5-12H,1-4H3,(H,25,29)(H,26,30)(H,27,31)(H,28,32)/b11-9+,12-10+
InChIKey
DMQOJXCSTNAIFR-WGDLNXRISA-N
Compound name
N'-[5-[(E)-3-[4-[(E)-3-[2-(2-acetylhydrazinyl)-4-methyl-1,3-thiazol-5-yl]-3-oxoprop-1-enyl]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

524.13007 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 525.13735 225.5
[M+Na]+ 547.11929 230.1
[M-H]- 523.12279 233.5
[M+NH4]+ 542.16389 231.7
[M+K]+ 563.09323 223.4
[M+H-H2O]+ 507.12733 216.8
[M+HCOO]- 569.12827 239.2
[M+CH3COO]- 583.14392 250.6
[M+Na-2H]- 545.10474 220.9
[M]+ 524.12952 230.7
[M]- 524.13062 230.7
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.