CID 159563

Ci-949

Structural Information

Molecular Formula
C20H20N6O3
SMILES
CC(C)OC1=C(N(C2=C1C=C(C=C2)OC)C3=CC=CC=C3)C(=O)NC4=NNN=N4
InChI
InChI=1S/C20H20N6O3/c1-12(2)29-18-15-11-14(28-3)9-10-16(15)26(13-7-5-4-6-8-13)17(18)19(27)21-20-22-24-25-23-20/h4-12H,1-3H3,(H2,21,22,23,24,25,27)
InChIKey
JPTSIWRGXIZEOO-UHFFFAOYSA-N
Compound name
5-methoxy-1-phenyl-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

12
References

23
Patents

392.1597 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.16698 190.2
[M+Na]+ 415.14892 198.6
[M-H]- 391.15242 195.2
[M+NH4]+ 410.19352 198.0
[M+K]+ 431.12286 193.3
[M+H-H2O]+ 375.15696 179.2
[M+HCOO]- 437.15790 208.1
[M+CH3COO]- 451.17355 199.2
[M+Na-2H]- 413.13437 191.2
[M]+ 392.15915 194.4
[M]- 392.16025 194.4
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