CID 370054

Nsc642615

Structural Information

Molecular Formula
C22H20N6O2S2
SMILES
C1=CC=C(C=C1)NNC(=O)CC2=CSC(=N2)C3=NC(=CS3)CC(=O)NNC4=CC=CC=C4
InChI
InChI=1S/C22H20N6O2S2/c29-19(27-25-15-7-3-1-4-8-15)11-17-13-31-21(23-17)22-24-18(14-32-22)12-20(30)28-26-16-9-5-2-6-10-16/h1-10,13-14,25-26H,11-12H2,(H,27,29)(H,28,30)
InChIKey
VJXOLDCDPGLJBF-UHFFFAOYSA-N
Compound name
2-[2-[4-[2-oxo-2-(2-phenylhydrazinyl)ethyl]-1,3-thiazol-2-yl]-1,3-thiazol-4-yl]-N'-phenylacetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.10892 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.11620 199.4
[M+Na]+ 487.09814 205.3
[M-H]- 463.10164 210.4
[M+NH4]+ 482.14274 207.9
[M+K]+ 503.07208 198.1
[M+H-H2O]+ 447.10618 190.4
[M+HCOO]- 509.10712 217.1
[M+CH3COO]- 523.12277 207.8
[M+Na-2H]- 485.08359 201.8
[M]+ 464.10837 202.3
[M]- 464.10947 202.3
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.