CID 3038154

31052-78-5

Structural Information

Molecular Formula
C8H11N5O2S
SMILES
CC1CN(C(=N1)NC2=NC=C(S2)[N+](=O)[O-])C
InChI
InChI=1S/C8H11N5O2S/c1-5-4-12(2)7(10-5)11-8-9-3-6(16-8)13(14)15/h3,5H,4H2,1-2H3,(H,9,10,11)
InChIKey
QQICMSFIPONKGQ-UHFFFAOYSA-N
Compound name
N-(1,4-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

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.07062 148.3
[M+Na]+ 264.05256 158.5
[M+NH4]+ 259.09716 155.2
[M+K]+ 280.02650 158.4
[M-H]- 240.05606 151.0
[M+Na-2H]- 262.03801 152.8
[M]+ 241.06279 150.5
[M]- 241.06389 150.5
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