CID 3075236

172985-33-0

Structural Information

Molecular Formula
C26H24N2O3
SMILES
CC1(CC2=C(CO1)C(=NC3=C2C(=C(O3)C(=O)C4=CC=CC=C4)N)CC5=CC=CC=C5)C
InChI
InChI=1S/C26H24N2O3/c1-26(2)14-18-19(15-30-26)20(13-16-9-5-3-6-10-16)28-25-21(18)22(27)24(31-25)23(29)17-11-7-4-8-12-17/h3-12H,13-15,27H2,1-2H3
InChIKey
ILKIRLCITOVVQK-UHFFFAOYSA-N
Compound name
(3-amino-8-benzyl-12,12-dimethyl-5,11-dioxa-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,7-tetraen-4-yl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.17868 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.18596 200.7
[M+Na]+ 435.16790 217.2
[M+NH4]+ 430.21250 210.2
[M+K]+ 451.14184 208.6
[M-H]- 411.17140 210.7
[M+Na-2H]- 433.15335 209.2
[M]+ 412.17813 206.3
[M]- 412.17923 206.3
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.