CID 2999027

4-[2,5-dimethyl-1-(2-phenylethyl)-1h-pyrrol-3-yl]-1,3-thiazol-2-amine hydrochloride

Structural Information

Molecular Formula
C17H19N3S
SMILES
CC1=CC(=C(N1CCC2=CC=CC=C2)C)C3=CSC(=N3)N
InChI
InChI=1S/C17H19N3S/c1-12-10-15(16-11-21-17(18)19-16)13(2)20(12)9-8-14-6-4-3-5-7-14/h3-7,10-11H,8-9H2,1-2H3,(H2,18,19)
InChIKey
RFEIFPRNCTUAPS-UHFFFAOYSA-N
Compound name
4-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

297.12997 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.13725 169.7
[M+Na]+ 320.11919 183.9
[M+NH4]+ 315.16379 178.5
[M+K]+ 336.09313 177.3
[M-H]- 296.12269 175.8
[M+Na-2H]- 318.10464 178.5
[M]+ 297.12942 174.0
[M]- 297.13052 174.0
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.