CID 342761

Nsc380501

Structural Information

Molecular Formula
C18H14N4O3S
SMILES
CCOC(=O)C1=CC=C(C=C1)N=NC2C(=O)N3C4=CC=CC=C4N=C3S2
InChI
InChI=1S/C18H14N4O3S/c1-2-25-17(24)11-7-9-12(10-8-11)20-21-15-16(23)22-14-6-4-3-5-13(14)19-18(22)26-15/h3-10,15H,2H2,1H3
InChIKey
PVXOJVXEHGNENS-UHFFFAOYSA-N
Compound name
ethyl 4-[(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-yl)diazenyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.07867 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.08595 183.4
[M+Na]+ 389.06789 194.1
[M-H]- 365.07139 193.5
[M+NH4]+ 384.11249 200.4
[M+K]+ 405.04183 190.1
[M+H-H2O]+ 349.07593 175.5
[M+HCOO]- 411.07687 205.3
[M+CH3COO]- 425.09252 195.7
[M+Na-2H]- 387.05334 186.0
[M]+ 366.07812 192.1
[M]- 366.07922 192.1
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.