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]+ 185.085536 139.6
[M+Na]+ 207.067478 147.2
[M-H]- 183.070984 139.7
[M+NH4]+ 202.112083 158.2
[M+K]+ 223.041418 143.6
[M+H-H2O]+ 167.075520 132.5
[M+HCOO]- 229.076461 157.3
[M+CH3COO]- 243.092111 181.5
[M+Na-2H]- 205.052926 141.5
[M]+ 184.07771142 138.2
[M]- 184.07880858 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.