CID 392635

Nsc693215

Structural Information

Molecular Formula
C23H21NO4
SMILES
CCOC(=O)C1=C2C3=CC=CC=C3N(C4=C2C(=CC5=C4C=CC(O5)(C)C)O1)C
InChI
InChI=1S/C23H21NO4/c1-5-26-22(25)21-18-13-8-6-7-9-15(13)24(4)20-14-10-11-23(2,3)28-16(14)12-17(27-21)19(18)20/h6-12H,5H2,1-4H3
InChIKey
KFCITKIECFELNF-UHFFFAOYSA-N
Compound name
ethyl 5,5,19-trimethyl-6,10-dioxa-19-azapentacyclo[10.7.1.02,7.09,20.013,18]icosa-1(20),2(7),3,8,11,13,15,17-octaene-11-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.14706 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.15434 190.2
[M+Na]+ 398.13628 201.6
[M-H]- 374.13978 197.6
[M+NH4]+ 393.18088 206.7
[M+K]+ 414.11022 198.7
[M+H-H2O]+ 358.14432 181.4
[M+HCOO]- 420.14526 204.4
[M+CH3COO]- 434.16091 201.4
[M+Na-2H]- 396.12173 195.4
[M]+ 375.14651 199.1
[M]- 375.14761 199.1
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.