CID 11566756

O6j8hs38gl

Structural Information

Molecular Formula
C20H20N4O3
SMILES
CN1C=CC2=C1C=CC(=C2)N3C=NN=C3C4=CC(=C(C(=C4)OC)OC)OC
InChI
InChI=1S/C20H20N4O3/c1-23-8-7-13-9-15(5-6-16(13)23)24-12-21-22-20(24)14-10-17(25-2)19(27-4)18(11-14)26-3/h5-12H,1-4H3
InChIKey
TXHKYLOYOGMNFE-UHFFFAOYSA-N
Compound name
1-methyl-5-[3-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-4-yl]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

7
Patents

364.15353 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.16081 186.6
[M+Na]+ 387.14275 198.7
[M-H]- 363.14625 194.4
[M+NH4]+ 382.18735 198.7
[M+K]+ 403.11669 193.6
[M+H-H2O]+ 347.15079 176.1
[M+HCOO]- 409.15173 207.9
[M+CH3COO]- 423.16738 198.2
[M+Na-2H]- 385.12820 187.2
[M]+ 364.15298 195.3
[M]- 364.15408 195.3
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