CID 473984

2-aminomethyl-1-ethyl-4-isopropyl-5-phenylthio-1h-imidazole

Structural Information

Molecular Formula
C15H21N3S
SMILES
CCN1C(=NC(=C1SC2=CC=CC=C2)C(C)C)CN
InChI
InChI=1S/C15H21N3S/c1-4-18-13(10-16)17-14(11(2)3)15(18)19-12-8-6-5-7-9-12/h5-9,11H,4,10,16H2,1-3H3
InChIKey
ABWZONWGBDQLIU-UHFFFAOYSA-N
Compound name
(1-ethyl-5-phenylsulfanyl-4-propan-2-ylimidazol-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

275.14563 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.15291 164.9
[M+Na]+ 298.13485 173.3
[M-H]- 274.13835 169.1
[M+NH4]+ 293.17945 181.0
[M+K]+ 314.10879 168.2
[M+H-H2O]+ 258.14289 156.8
[M+HCOO]- 320.14383 181.5
[M+CH3COO]- 334.15948 202.4
[M+Na-2H]- 296.12030 163.0
[M]+ 275.14508 167.4
[M]- 275.14618 167.4
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.