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 168.8
[M+Na]+ 320.11919 180.3
[M-H]- 296.12269 177.7
[M+NH4]+ 315.16379 186.1
[M+K]+ 336.09313 174.0
[M+H-H2O]+ 280.12723 161.0
[M+HCOO]- 342.12817 189.8
[M+CH3COO]- 356.14382 181.7
[M+Na-2H]- 318.10464 167.0
[M]+ 297.12942 173.2
[M]- 297.13052 173.2
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.