CID 9574920

[(e)-(3-methylquinoxalin-2-yl)methyleneamino]thiourea

Structural Information

Molecular Formula
C11H11N5S
SMILES
CC1=NC2=CC=CC=C2N=C1/C=N/NC(=S)N
InChI
InChI=1S/C11H11N5S/c1-7-10(6-13-16-11(12)17)15-9-5-3-2-4-8(9)14-7/h2-6H,1H3,(H3,12,16,17)/b13-6+
InChIKey
QGQVWKMGQBXYHB-AWNIVKPZSA-N
Compound name
[(E)-(3-methylquinoxalin-2-yl)methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.07352 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.08080 151.4
[M+Na]+ 268.06274 160.0
[M-H]- 244.06624 154.4
[M+NH4]+ 263.10734 167.5
[M+K]+ 284.03668 154.9
[M+H-H2O]+ 228.07078 143.3
[M+HCOO]- 290.07172 170.6
[M+CH3COO]- 304.08737 200.8
[M+Na-2H]- 266.04819 157.6
[M]+ 245.07297 151.4
[M]- 245.07407 151.4
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.