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

2
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

literature stripe

Patent stripe

patents stripe