CID 3038156

31052-84-3

Structural Information

Molecular Formula
C8H11N5O2S
SMILES
CC1CN=C(N1C)NC2=NC=C(S2)[N+](=O)[O-]
InChI
InChI=1S/C8H11N5O2S/c1-5-3-9-7(12(5)2)11-8-10-4-6(16-8)13(14)15/h4-5H,3H2,1-2H3,(H,9,10,11)
InChIKey
CZMUSASBEIMXIM-UHFFFAOYSA-N
Compound name
N-(1,5-dimethyl-4,5-dihydroimidazol-2-yl)-5-nitro-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

241.06334 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.07062 149.6
[M+Na]+ 264.05256 158.1
[M-H]- 240.05606 154.1
[M+NH4]+ 259.09716 166.5
[M+K]+ 280.02650 151.7
[M+H-H2O]+ 224.06060 146.4
[M+HCOO]- 286.06154 169.2
[M+CH3COO]- 300.07719 185.5
[M+Na-2H]- 262.03801 152.4
[M]+ 241.06279 148.9
[M]- 241.06389 148.9
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

patents stripe