CID 395166

Nsc699466

Structural Information

Molecular Formula
C10H11N5O2S
SMILES
C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NN)N
InChI
InChI=1S/C10H11N5O2S/c11-14-8(16)5-18-10-13-7-4-2-1-3-6(7)9(17)15(10)12/h1-4H,5,11-12H2,(H,14,16)
InChIKey
OFSPFMXXNYIXNG-UHFFFAOYSA-N
Compound name
2-(3-amino-4-oxoquinazolin-2-yl)sulfanylacetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.06335 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.07063 153.9
[M+Na]+ 288.05257 162.7
[M-H]- 264.05607 155.4
[M+NH4]+ 283.09717 168.2
[M+K]+ 304.02651 157.9
[M+H-H2O]+ 248.06061 146.1
[M+HCOO]- 310.06155 171.6
[M+CH3COO]- 324.07720 201.4
[M+Na-2H]- 286.03802 158.8
[M]+ 265.06280 154.0
[M]- 265.06390 154.0
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.