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

16
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.