CID 73074609

3-(4-hydroxy-3-methoxyphenyl)-2-oxa-6,11-diazatetracyclo[7.5.2.04,15.012,16]hexadeca-1(15),9,12(16),13-tetraen-5-one

Structural Information

Molecular Formula
C20H18N2O4
SMILES
COC1=C(C=CC(=C1)C2C3C4=C(O2)C=CC5=C4C(=CN5)CCNC3=O)O
InChI
InChI=1S/C20H18N2O4/c1-25-15-8-10(2-4-13(15)23)19-18-17-14(26-19)5-3-12-16(17)11(9-22-12)6-7-21-20(18)24/h2-5,8-9,18-19,22-23H,6-7H2,1H3,(H,21,24)
InChIKey
GEJUXZYANAYHRZ-UHFFFAOYSA-N
Compound name
3-(4-hydroxy-3-methoxyphenyl)-2-oxa-6,11-diazatetracyclo[7.5.2.04,15.012,16]hexadeca-1(15),9,12(16),13-tetraen-5-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

350.12665 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.13393 185.0
[M+Na]+ 373.11587 190.4
[M-H]- 349.11937 186.6
[M+NH4]+ 368.16047 191.2
[M+K]+ 389.08981 188.5
[M+H-H2O]+ 333.12391 180.4
[M+HCOO]- 395.12485 190.0
[M+CH3COO]- 409.14050 187.6
[M+Na-2H]- 371.10132 181.7
[M]+ 350.12610 185.3
[M]- 350.12720 185.3
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.