CID 71702787

1-(2-methoxyethyl)-n-(5-(methoxymethyl)-1,3,4-thiadiazol-2-yl)-1h-indole-4-carboxamide

Structural Information

Molecular Formula
C16H18N4O3S
SMILES
COCCN1C=CC2=C(C=CC=C21)C(=O)NC3=NN=C(S3)COC
InChI
InChI=1S/C16H18N4O3S/c1-22-9-8-20-7-6-11-12(4-3-5-13(11)20)15(21)17-16-19-18-14(24-16)10-23-2/h3-7H,8-10H2,1-2H3,(H,17,19,21)
InChIKey
MSZOXDYFUKFIPJ-UHFFFAOYSA-N
Compound name
1-(2-methoxyethyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]indole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.10995 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.11723 178.6
[M+Na]+ 369.09917 188.6
[M-H]- 345.10267 184.0
[M+NH4]+ 364.14377 193.3
[M+K]+ 385.07311 184.8
[M+H-H2O]+ 329.10721 170.6
[M+HCOO]- 391.10815 197.3
[M+CH3COO]- 405.12380 210.9
[M+Na-2H]- 367.08462 179.2
[M]+ 346.10940 187.7
[M]- 346.11050 187.7
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.