CID 355083

Nsc608061

Structural Information

Molecular Formula
C7H8N4O2S
SMILES
CC1=NN2C=C(N=C2S1)NC(=O)OC
InChI
InChI=1S/C7H8N4O2S/c1-4-10-11-3-5(8-6(11)14-4)9-7(12)13-2/h3H,1-2H3,(H,9,12)
InChIKey
XOSSTFWPVMLYFI-UHFFFAOYSA-N
Compound name
methyl N-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.0368 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.04408 142.3
[M+Na]+ 235.02602 154.5
[M-H]- 211.02952 145.0
[M+NH4]+ 230.07062 162.8
[M+K]+ 250.99996 152.8
[M+H-H2O]+ 195.03406 136.0
[M+HCOO]- 257.03500 162.2
[M+CH3COO]- 271.05065 184.7
[M+Na-2H]- 233.01147 145.2
[M]+ 212.03625 148.9
[M]- 212.03735 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

No patent data available for this compound.