CID 389955

Nsc686658

Structural Information

Molecular Formula
C19H16N4OS
SMILES
C1=CC=C(C=C1)CSC2=C(N3C=CC4=CC=CC=C4C3=N2)C(=O)NN
InChI
InChI=1S/C19H16N4OS/c20-22-18(24)16-19(25-12-13-6-2-1-3-7-13)21-17-15-9-5-4-8-14(15)10-11-23(16)17/h1-11H,12,20H2,(H,22,24)
InChIKey
PKLMMYXNFAOWAQ-UHFFFAOYSA-N
Compound name
2-benzylsulfanylimidazo[2,1-a]isoquinoline-3-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.1045 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.11178 177.2
[M+Na]+ 371.09372 187.0
[M-H]- 347.09722 183.5
[M+NH4]+ 366.13832 191.5
[M+K]+ 387.06766 179.8
[M+H-H2O]+ 331.10176 168.8
[M+HCOO]- 393.10270 195.1
[M+CH3COO]- 407.11835 188.0
[M+Na-2H]- 369.07917 182.3
[M]+ 348.10395 180.5
[M]- 348.10505 180.5
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.