CID 9571608

Nsc686660

Structural Information

Molecular Formula
C20H16N4OS
SMILES
CSC1=C(N2C=CC3=CC=CC=C3C2=N1)C(=O)N/N=C/C4=CC=CC=C4
InChI
InChI=1S/C20H16N4OS/c1-26-20-17(19(25)23-21-13-14-7-3-2-4-8-14)24-12-11-15-9-5-6-10-16(15)18(24)22-20/h2-13H,1H3,(H,23,25)/b21-13+
InChIKey
WTKOEWWTPGFMGH-FYJGNVAPSA-N
Compound name
N-[(E)-benzylideneamino]-2-methylsulfanylimidazo[2,1-a]isoquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.1045 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.11178 182.5
[M+Na]+ 383.09372 192.5
[M-H]- 359.09722 190.4
[M+NH4]+ 378.13832 197.1
[M+K]+ 399.06766 185.6
[M+H-H2O]+ 343.10176 173.4
[M+HCOO]- 405.10270 202.2
[M+CH3COO]- 419.11835 193.6
[M+Na-2H]- 381.07917 188.0
[M]+ 360.10395 187.9
[M]- 360.10505 187.9
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.