CID 18526123

4-[4-(1-pyrrolidinyl)phenyl]-1,3-thiazol-2-ylamine

Structural Information

Molecular Formula
C13H15N3S
SMILES
C1CCN(C1)C2=CC=C(C=C2)C3=CSC(=N3)N
InChI
InChI=1S/C13H15N3S/c14-13-15-12(9-17-13)10-3-5-11(6-4-10)16-7-1-2-8-16/h3-6,9H,1-2,7-8H2,(H2,14,15)
InChIKey
LAAAYLCXBDADNM-UHFFFAOYSA-N
Compound name
4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

18
Patents

245.09866 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.10594 153.7
[M+Na]+ 268.08788 162.1
[M-H]- 244.09138 161.3
[M+NH4]+ 263.13248 172.2
[M+K]+ 284.06182 157.6
[M+H-H2O]+ 228.09592 146.0
[M+HCOO]- 290.09686 171.8
[M+CH3COO]- 304.11251 166.0
[M+Na-2H]- 266.07333 152.5
[M]+ 245.09811 151.8
[M]- 245.09921 151.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe