CID 131111781

3-methyl-1-[(5-methyl-1h-imidazol-4-yl)methyl]thiourea hydrochloride

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 139.6
[M+Na]+ 207.06748 147.2
[M-H]- 183.07098 139.7
[M+NH4]+ 202.11208 158.2
[M+K]+ 223.04142 143.6
[M+H-H2O]+ 167.07552 132.5
[M+HCOO]- 229.07646 157.3
[M+CH3COO]- 243.09211 181.5
[M+Na-2H]- 205.05293 141.5
[M]+ 184.07771 138.2
[M]- 184.07881 138.2
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

No patent data available for this compound.