CID 392515

Nsc693032

Structural Information

Molecular Formula
C23H13N5S
SMILES
C1=CC=C2C(=C1)C(=C(C3=NC4=CC=CC=C4N23)C#N)NC5=NC6=CC=CC=C6S5
InChI
InChI=1S/C23H13N5S/c24-13-15-21(27-23-26-17-9-3-6-12-20(17)29-23)14-7-1-4-10-18(14)28-19-11-5-2-8-16(19)25-22(15)28/h1-12H,(H,26,27)
InChIKey
DXDHUGSNNBJGAM-UHFFFAOYSA-N
Compound name
5-(1,3-benzothiazol-2-ylamino)benzimidazolo[1,2-a]quinoline-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.08917 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.09645 199.5
[M+Na]+ 414.07839 216.8
[M-H]- 390.08189 205.1
[M+NH4]+ 409.12299 213.1
[M+K]+ 430.05233 203.3
[M+H-H2O]+ 374.08643 184.5
[M+HCOO]- 436.08737 213.6
[M+CH3COO]- 450.10302 208.7
[M+Na-2H]- 412.06384 203.7
[M]+ 391.08862 201.5
[M]- 391.08972 201.5
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.