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

25
Patents

326.16306 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.170336 175.2
[M+Na]+ 349.152278 182.9
[M-H]- 325.155784 172.6
[M+NH4]+ 344.196883 188.7
[M+K]+ 365.126218 178.2
[M+H-H2O]+ 309.160320 170.7
[M+HCOO]- 371.161261 184.3
[M+CH3COO]- 385.176911 183.2
[M+Na-2H]- 347.137726 178.5
[M]+ 326.16251142 169.9
[M]- 326.16360858 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