CID 374383

Nsc652049

Structural Information

Molecular Formula
C18H15N5OS
SMILES
CC1=CC=C(C=C1)N=NC(C2=NC3=CC=CC=C3N2)C4=NC(=O)CS4
InChI
InChI=1S/C18H15N5OS/c1-11-6-8-12(9-7-11)22-23-16(18-21-15(24)10-25-18)17-19-13-4-2-3-5-14(13)20-17/h2-9,16H,10H2,1H3,(H,19,20)
InChIKey
MOOTYKWSLGHWLW-UHFFFAOYSA-N
Compound name
2-[1H-benzimidazol-2-yl-[(4-methylphenyl)diazenyl]methyl]-1,3-thiazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.09973 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.10701 179.1
[M+Na]+ 372.08895 189.1
[M-H]- 348.09245 188.8
[M+NH4]+ 367.13355 193.5
[M+K]+ 388.06289 183.2
[M+H-H2O]+ 332.09699 170.0
[M+HCOO]- 394.09793 199.5
[M+CH3COO]- 408.11358 190.6
[M+Na-2H]- 370.07440 180.9
[M]+ 349.09918 182.9
[M]- 349.10028 182.9
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.