CID 2067292

172985-39-6

Structural Information

Molecular Formula
C32H25BrN2O4
SMILES
CC1(CC2=C(CO1)C(=NC3=C2C(=C(O3)C(=O)C4=CC=C(C=C4)Br)NC(=O)C5=CC=CC=C5)C6=CC=CC=C6)C
InChI
InChI=1S/C32H25BrN2O4/c1-32(2)17-23-24(18-38-32)26(19-9-5-3-6-10-19)35-31-25(23)27(34-30(37)21-11-7-4-8-12-21)29(39-31)28(36)20-13-15-22(33)16-14-20/h3-16H,17-18H2,1-2H3,(H,34,37)
InChIKey
ZTZINUXOSKHTFB-UHFFFAOYSA-N
Compound name
N-[4-(4-bromobenzoyl)-12,12-dimethyl-8-phenyl-5,11-dioxa-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,7-tetraen-3-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

580.0998 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 581.10708 231.1
[M+Na]+ 603.08902 238.3
[M+NH4]+ 598.13362 235.8
[M+K]+ 619.06296 235.2
[M-H]- 579.09252 239.8
[M+Na-2H]- 601.07447 236.4
[M]+ 580.09925 234.0
[M]- 580.10035 234.0
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.