CID 1919725

172985-32-9

Structural Information

Molecular Formula
C25H21ClN2O3
SMILES
CC1(CC2=C(CO1)C(=NC3=C2C(=C(O3)C(=O)C4=CC=C(C=C4)Cl)N)C5=CC=CC=C5)C
InChI
InChI=1S/C25H21ClN2O3/c1-25(2)12-17-18(13-30-25)21(14-6-4-3-5-7-14)28-24-19(17)20(27)23(31-24)22(29)15-8-10-16(26)11-9-15/h3-11H,12-13,27H2,1-2H3
InChIKey
ACAWZOKJJBTCIP-UHFFFAOYSA-N
Compound name
(3-amino-12,12-dimethyl-8-phenyl-5,11-dioxa-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,7-tetraen-4-yl)-(4-chlorophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.12408 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.13136 203.3
[M+Na]+ 455.11330 221.3
[M+NH4]+ 450.15790 213.3
[M+K]+ 471.08724 212.1
[M-H]- 431.11680 213.5
[M+Na-2H]- 453.09875 211.8
[M]+ 432.12353 209.6
[M]- 432.12463 209.6
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.