CID 705157

172985-15-8

Structural Information

Molecular Formula
C20H20N2O3
SMILES
CC1=C2COC(CC2=C3C(=C(OC3=N1)C(=O)C4=CC=CC=C4)N)(C)C
InChI
InChI=1S/C20H20N2O3/c1-11-14-10-24-20(2,3)9-13(14)15-16(21)18(25-19(15)22-11)17(23)12-7-5-4-6-8-12/h4-8H,9-10,21H2,1-3H3
InChIKey
QSFZMZFTAMVVPV-UHFFFAOYSA-N
Compound name
(3-amino-8,12,12-trimethyl-5,11-dioxa-7-azatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-4-yl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

336.1474 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.15468 178.7
[M+Na]+ 359.13662 193.6
[M+NH4]+ 354.18122 188.2
[M+K]+ 375.11056 187.0
[M-H]- 335.14012 186.1
[M+Na-2H]- 357.12207 185.0
[M]+ 336.14685 183.2
[M]- 336.14795 183.2
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

No patent data available for this compound.