CID 3050385

Lcg 20154

Structural Information

Molecular Formula
C18H17N5O2S
SMILES
COC1=CC=C(C=C1)C2=C(C3=C(N2)C=C(C=C3)OC)SCC4=NNN=N4
InChI
InChI=1S/C18H17N5O2S/c1-24-12-5-3-11(4-6-12)17-18(26-10-16-20-22-23-21-16)14-8-7-13(25-2)9-15(14)19-17/h3-9,19H,10H2,1-2H3,(H,20,21,22,23)
InChIKey
XGSSXHYIVURJST-UHFFFAOYSA-N
Compound name
6-methoxy-2-(4-methoxyphenyl)-3-(2H-tetrazol-5-ylmethylsulfanyl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.1103 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.11758 183.1
[M+Na]+ 390.09952 194.9
[M-H]- 366.10302 187.1
[M+NH4]+ 385.14412 193.2
[M+K]+ 406.07346 187.4
[M+H-H2O]+ 350.10756 174.4
[M+HCOO]- 412.10850 196.7
[M+CH3COO]- 426.12415 193.0
[M+Na-2H]- 388.08497 183.0
[M]+ 367.10975 188.7
[M]- 367.11085 188.7
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.