CID 3038155

Brn 5389624

Structural Information

Molecular Formula
C8H11N5O2S
SMILES
CN1CCN(C1=NC2=NC=C(S2)[N+](=O)[O-])C
InChI
InChI=1S/C8H11N5O2S/c1-11-3-4-12(2)8(11)10-7-9-5-6(16-7)13(14)15/h5H,3-4H2,1-2H3
InChIKey
DNVMAHXEIATJSW-UHFFFAOYSA-N
Compound name
1,3-dimethyl-N-(5-nitro-1,3-thiazol-2-yl)imidazolidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.06334 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.07062 149.6
[M+Na]+ 264.05256 159.4
[M+NH4]+ 259.09716 156.5
[M+K]+ 280.02650 159.0
[M-H]- 240.05606 152.3
[M+Na-2H]- 262.03801 153.6
[M]+ 241.06279 151.7
[M]- 241.06389 151.7
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.