CID 3038153

Brn 1132978

Structural Information

Molecular Formula
C8H11N5O2S
SMILES
CCN1CCN=C1NC2=NC=C(S2)[N+](=O)[O-]
InChI
InChI=1S/C8H11N5O2S/c1-2-12-4-3-9-7(12)11-8-10-5-6(16-8)13(14)15/h5H,2-4H2,1H3,(H,9,10,11)
InChIKey
VNYXTZQJJLBMQI-UHFFFAOYSA-N
Compound name
N-(1-ethyl-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

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.07062 149.1
[M+Na]+ 264.05256 156.8
[M-H]- 240.05606 153.3
[M+NH4]+ 259.09716 165.7
[M+K]+ 280.02650 150.4
[M+H-H2O]+ 224.06060 145.5
[M+HCOO]- 286.06154 168.8
[M+CH3COO]- 300.07719 184.4
[M+Na-2H]- 262.03801 152.6
[M]+ 241.06279 148.0
[M]- 241.06389 148.0
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

patents stripe