CID 135499280

Nsc647611

Structural Information

Molecular Formula
C24H26N6O4S2
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N/N=C(\C=C\C2=CC=C(C=C2)NC(=O)C)/C3=C(N=C(S3)NNC(=O)C)C
InChI
InChI=1S/C24H26N6O4S2/c1-15-5-12-21(13-6-15)36(33,34)30-28-22(23-16(2)25-24(35-23)29-27-18(4)32)14-9-19-7-10-20(11-8-19)26-17(3)31/h5-14,30H,1-4H3,(H,25,29)(H,26,31)(H,27,32)/b14-9+,28-22+
InChIKey
WDDXBLOZHHJPEP-IWOQJKGHSA-N
Compound name
N-[4-[(E,3E)-3-[2-(2-acetylhydrazinyl)-4-methyl-1,3-thiazol-5-yl]-3-[(4-methylphenyl)sulfonylhydrazinylidene]prop-1-enyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

526.1457 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 527.15298 224.0
[M+Na]+ 549.13492 226.8
[M-H]- 525.13842 232.6
[M+NH4]+ 544.17952 229.3
[M+K]+ 565.10886 220.4
[M+H-H2O]+ 509.14296 213.9
[M+HCOO]- 571.14390 238.3
[M+CH3COO]- 585.15955 254.3
[M+Na-2H]- 547.12037 225.0
[M]+ 526.14515 226.7
[M]- 526.14625 226.7
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.