CID 4463317

790232-07-4

Structural Information

Molecular Formula
C14H19N3OS
SMILES
CC1=CC(=C(N1CC2CCCO2)C)C3=CSC(=N3)N
InChI
InChI=1S/C14H19N3OS/c1-9-6-12(13-8-19-14(15)16-13)10(2)17(9)7-11-4-3-5-18-11/h6,8,11H,3-5,7H2,1-2H3,(H2,15,16)
InChIKey
IUSOSUNODUAXAY-UHFFFAOYSA-N
Compound name
4-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

277.12488 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.13216 163.1
[M+Na]+ 300.11410 173.6
[M-H]- 276.11760 172.7
[M+NH4]+ 295.15870 181.6
[M+K]+ 316.08804 171.0
[M+H-H2O]+ 260.12214 157.1
[M+HCOO]- 322.12308 182.5
[M+CH3COO]- 336.13873 176.4
[M+Na-2H]- 298.09955 159.0
[M]+ 277.12433 166.7
[M]- 277.12543 166.7
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

No patent data available for this compound.