CID 3004423

Nsc652043

Structural Information

Molecular Formula
C24H15ClN6OS
SMILES
C1=CC=C(C=C1)N\2C(=O)C(S/C2=C(/C#N)\C3=NC4=CC=CC=C4N3)N=NC5=CC=C(C=C5)Cl
InChI
InChI=1S/C24H15ClN6OS/c25-15-10-12-16(13-11-15)29-30-22-23(32)31(17-6-2-1-3-7-17)24(33-22)18(14-26)21-27-19-8-4-5-9-20(19)28-21/h1-13,22H,(H,27,28)/b24-18-,30-29?
InChIKey
YJVNPNMWADWFFI-LXYVSBRFSA-N
Compound name
(2Z)-2-(1H-benzimidazol-2-yl)-2-[5-[(4-chlorophenyl)diazenyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.07166 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.07894 221.5
[M+Na]+ 493.06088 233.5
[M-H]- 469.06438 229.7
[M+NH4]+ 488.10548 229.5
[M+K]+ 509.03482 221.8
[M+H-H2O]+ 453.06892 204.2
[M+HCOO]- 515.06986 230.9
[M+CH3COO]- 529.08551 227.8
[M+Na-2H]- 491.04633 218.1
[M]+ 470.07111 219.0
[M]- 470.07221 219.0
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.