CID 159289

Ci-959

Structural Information

Molecular Formula
C14H15N5O3S
SMILES
CC(C)OC1=C(SC2=C1C=C(C=C2)OC)C(=O)NC3=NNN=N3
InChI
InChI=1S/C14H15N5O3S/c1-7(2)22-11-9-6-8(21-3)4-5-10(9)23-12(11)13(20)15-14-16-18-19-17-14/h4-7H,1-3H3,(H2,15,16,17,18,19,20)
InChIKey
TVVXHFWWAYXBNC-UHFFFAOYSA-N
Compound name
5-methoxy-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

21
References

62
Patents

333.08957 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.09685 173.7
[M+Na]+ 356.07879 184.2
[M+NH4]+ 351.12339 178.9
[M+K]+ 372.05273 182.1
[M-H]- 332.08229 174.1
[M+Na-2H]- 354.06424 177.9
[M]+ 333.08902 175.4
[M]- 333.09012 175.4
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