CID 4507793

37029-32-6

Structural Information

Molecular Formula
C17H16N4O2S
SMILES
CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NN
InChI
InChI=1S/C17H16N4O2S/c1-11-6-2-5-9-14(11)21-16(23)12-7-3-4-8-13(12)19-17(21)24-10-15(22)20-18/h2-9H,10,18H2,1H3,(H,20,22)
InChIKey
FQHAUIUPJPDEOJ-UHFFFAOYSA-N
Compound name
2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.0994 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.10668 177.1
[M+Na]+ 363.08862 186.0
[M-H]- 339.09212 181.9
[M+NH4]+ 358.13322 188.7
[M+K]+ 379.06256 179.3
[M+H-H2O]+ 323.09666 167.8
[M+HCOO]- 385.09760 193.6
[M+CH3COO]- 399.11325 187.1
[M+Na-2H]- 361.07407 180.8
[M]+ 340.09885 179.2
[M]- 340.09995 179.2
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.