CID 3078996

Benzanamine, n,n-dimethyl-2-(((1-methyl-1h-imidazol-2-yl)thio)methyl)-, dihydrochloride

Structural Information

Molecular Formula
C13H17N3S
SMILES
CN1C=CN=C1SCC2=CC=CC=C2N(C)C
InChI
InChI=1S/C13H17N3S/c1-15(2)12-7-5-4-6-11(12)10-17-13-14-8-9-16(13)3/h4-9H,10H2,1-3H3
InChIKey
XFCYGNGHQRZOTA-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-[(1-methylimidazol-2-yl)sulfanylmethyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

247.11432 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.121596 155.6
[M+Na]+ 270.103538 164.6
[M-H]- 246.107044 161.8
[M+NH4]+ 265.148143 173.6
[M+K]+ 286.077478 161.2
[M+H-H2O]+ 230.111580 147.3
[M+HCOO]- 292.112521 175.1
[M+CH3COO]- 306.128171 198.5
[M+Na-2H]- 268.088986 156.8
[M]+ 247.11377142 159.9
[M]- 247.11486858 159.9
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

patents stripe