CID 5270976

Schembl7098347

Structural Information

Molecular Formula
C22H29NO5
SMILES
CCCC1=CC(=O)OC2=C1C3=C(C=CC(O3)(C)C)C(=C2C(CC)N)OCCO
InChI
InChI=1S/C22H29NO5/c1-5-7-13-12-16(25)27-21-17(13)20-14(8-9-22(3,4)28-20)19(26-11-10-24)18(21)15(23)6-2/h8-9,12,15,24H,5-7,10-11,23H2,1-4H3
InChIKey
JZNMYRMJXBVDFH-UHFFFAOYSA-N
Compound name
6-(1-aminopropyl)-5-(2-hydroxyethoxy)-2,2-dimethyl-10-propylpyrano[2,3-f]chromen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

387.20456 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.21184 196.4
[M+Na]+ 410.19378 204.7
[M-H]- 386.19728 201.5
[M+NH4]+ 405.23838 209.0
[M+K]+ 426.16772 203.1
[M+H-H2O]+ 370.20182 188.6
[M+HCOO]- 432.20276 211.4
[M+CH3COO]- 446.21841 226.2
[M+Na-2H]- 408.17923 199.3
[M]+ 387.20401 203.3
[M]- 387.20511 203.3
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