CID 85634496

139955-86-5

Structural Information

Molecular Formula
C19H22N2O3
SMILES
CCC12CCC3=C(CC(=O)OC(C1)C(=O)NC2)C4=CC=CC=C4N3
InChI
InChI=1S/C19H22N2O3/c1-2-19-8-7-15-13(12-5-3-4-6-14(12)21-15)9-17(22)24-16(10-19)18(23)20-11-19/h3-6,16,21H,2,7-11H2,1H3,(H,20,23)
InChIKey
YUPRHHFLOLUPFG-UHFFFAOYSA-N
Compound name
1-ethyl-15-oxa-5,18-diazatetracyclo[14.3.1.04,12.06,11]icosa-4(12),6,8,10-tetraene-14,17-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

326.16306 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.17034 175.2
[M+Na]+ 349.15228 182.9
[M-H]- 325.15578 172.6
[M+NH4]+ 344.19688 188.7
[M+K]+ 365.12622 178.2
[M+H-H2O]+ 309.16032 170.7
[M+HCOO]- 371.16126 184.3
[M+CH3COO]- 385.17691 183.2
[M+Na-2H]- 347.13773 178.5
[M]+ 326.16251 169.9
[M]- 326.16361 169.9
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

patents stripe