CID 3034978

Usaf el-25

Structural Information

Molecular Formula
C5H6IN3S
SMILES
CC1=C(C(=S)N=C(N1)N)I
InChI
InChI=1S/C5H6IN3S/c1-2-3(6)4(10)9-5(7)8-2/h1H3,(H3,7,8,9,10)
InChIKey
QXDXJQCESHNQNX-UHFFFAOYSA-N
Compound name
2-amino-5-iodo-6-methyl-1H-pyrimidine-4-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

266.9327 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.93998 138.2
[M+Na]+ 289.92192 142.0
[M-H]- 265.92542 131.8
[M+NH4]+ 284.96652 151.7
[M+K]+ 305.89586 143.2
[M+H-H2O]+ 249.92996 128.6
[M+HCOO]- 311.93090 150.2
[M+CH3COO]- 325.94655 184.4
[M+Na-2H]- 287.90737 129.4
[M]+ 266.93215 134.2
[M]- 266.93325 134.2
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