CID 493429

Bdbm50115571

Structural Information

Molecular Formula
C21H19N5O4
SMILES
COC1=CC(=CC(=C1)CN2C(=NN=N2)C(=O)CC(=O)C3=CNC4=CC=CC=C43)OC
InChI
InChI=1S/C21H19N5O4/c1-29-14-7-13(8-15(9-14)30-2)12-26-21(23-24-25-26)20(28)10-19(27)17-11-22-18-6-4-3-5-16(17)18/h3-9,11,22H,10,12H2,1-2H3
InChIKey
FVQFJBBTHRJEQI-UHFFFAOYSA-N
Compound name
1-[1-[(3,5-dimethoxyphenyl)methyl]tetrazol-5-yl]-3-(1H-indol-3-yl)propane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

405.1437 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.150976 193.7
[M+Na]+ 428.132918 202.4
[M-H]- 404.136424 198.4
[M+NH4]+ 423.177523 200.9
[M+K]+ 444.106858 197.0
[M+H-H2O]+ 388.140960 182.6
[M+HCOO]- 450.141901 210.4
[M+CH3COO]- 464.157551 202.5
[M+Na-2H]- 426.118366 193.1
[M]+ 405.14315142 199.4
[M]- 405.14424858 199.4
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

No patent data available for this compound.