CID 131111781

2361635-08-5

Structural Information

Molecular Formula
C7H12N4S
SMILES
CC1=C(N=CN1)CNC(=S)NC
InChI
InChI=1S/C7H12N4S/c1-5-6(11-4-10-5)3-9-7(12)8-2/h4H,3H2,1-2H3,(H,10,11)(H2,8,9,12)
InChIKey
PIINEVFRFCYRNN-UHFFFAOYSA-N
Compound name
1-methyl-3-[(5-methyl-1H-imidazol-4-yl)methyl]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.07826 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.08554 140.2
[M+Na]+ 207.06748 148.4
[M+NH4]+ 202.11208 147.2
[M+K]+ 223.04142 143.5
[M-H]- 183.07098 140.7
[M+Na-2H]- 205.05293 143.8
[M]+ 184.07771 141.5
[M]- 184.07881 141.5
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

No patent data available for this compound.