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]+ 406.15098 193.7
[M+Na]+ 428.13292 202.4
[M-H]- 404.13642 198.4
[M+NH4]+ 423.17752 200.9
[M+K]+ 444.10686 197.0
[M+H-H2O]+ 388.14096 182.6
[M+HCOO]- 450.14190 210.4
[M+CH3COO]- 464.15755 202.5
[M+Na-2H]- 426.11837 193.1
[M]+ 405.14315 199.4
[M]- 405.14425 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.