CID 869862

4-(4-isobutylphenyl)-1,3-thiazol-2-amine

Structural Information

Molecular Formula
C13H16N2S
SMILES
CC(C)CC1=CC=C(C=C1)C2=CSC(=N2)N
InChI
InChI=1S/C13H16N2S/c1-9(2)7-10-3-5-11(6-4-10)12-8-16-13(14)15-12/h3-6,8-9H,7H2,1-2H3,(H2,14,15)
InChIKey
QHFXFYBCBXWOGR-UHFFFAOYSA-N
Compound name
4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

60
Patents

232.10342 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.11070 152.1
[M+Na]+ 255.09264 160.6
[M-H]- 231.09614 157.8
[M+NH4]+ 250.13724 171.0
[M+K]+ 271.06658 156.1
[M+H-H2O]+ 215.10068 145.1
[M+HCOO]- 277.10162 170.7
[M+CH3COO]- 291.11727 192.6
[M+Na-2H]- 253.07809 152.0
[M]+ 232.10287 153.1
[M]- 232.10397 153.1
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