CID 804956

296264-57-8

Structural Information

Molecular Formula
C14H15N3OS
SMILES
CC1=C(C2=C(N1C)C=CC(=C2)OC)C3=CSC(=N3)N
InChI
InChI=1S/C14H15N3OS/c1-8-13(11-7-19-14(15)16-11)10-6-9(18-3)4-5-12(10)17(8)2/h4-7H,1-3H3,(H2,15,16)
InChIKey
VPDSGUDJGGDJMS-UHFFFAOYSA-N
Compound name
4-(5-methoxy-1,2-dimethylindol-3-yl)-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

3
Patents

273.0936 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.10088 161.1
[M+Na]+ 296.08282 174.4
[M-H]- 272.08632 168.3
[M+NH4]+ 291.12742 180.9
[M+K]+ 312.05676 169.5
[M+H-H2O]+ 256.09086 154.8
[M+HCOO]- 318.09180 181.6
[M+CH3COO]- 332.10745 175.0
[M+Na-2H]- 294.06827 161.0
[M]+ 273.09305 167.7
[M]- 273.09415 167.7
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.