CID 91154

24240-69-5

Structural Information

Molecular Formula
C6H7N5O2S
SMILES
C1CN=C(N1)NC2=NC=C(S2)[N+](=O)[O-]
InChI
InChI=1S/C6H7N5O2S/c12-11(13)4-3-9-6(14-4)10-5-7-1-2-8-5/h3H,1-2H2,(H2,7,8,9,10)
InChIKey
GOKRGKAACKWNNZ-UHFFFAOYSA-N
Compound name
N-(4,5-dihydro-1H-imidazol-2-yl)-5-nitro-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

213.03204 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.03932 139.0
[M+Na]+ 236.02126 146.2
[M-H]- 212.02476 141.7
[M+NH4]+ 231.06586 155.7
[M+K]+ 251.99520 139.6
[M+H-H2O]+ 196.02930 135.7
[M+HCOO]- 258.03024 157.9
[M+CH3COO]- 272.04589 174.7
[M+Na-2H]- 234.00671 143.8
[M]+ 213.03149 135.1
[M]- 213.03259 135.1
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