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]+ 341.106676 177.1
[M+Na]+ 363.088618 186.0
[M-H]- 339.092124 181.9
[M+NH4]+ 358.133223 188.7
[M+K]+ 379.062558 179.3
[M+H-H2O]+ 323.096660 167.8
[M+HCOO]- 385.097601 193.6
[M+CH3COO]- 399.113251 187.1
[M+Na-2H]- 361.074066 180.8
[M]+ 340.09885142 179.2
[M]- 340.09994858 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.