CID 3075232

172985-17-0

Structural Information

Molecular Formula
C20H19ClN2O3
SMILES
CC1=C2COC(CC2=C3C(=C(OC3=N1)C(=O)C4=CC=C(C=C4)Cl)N)(C)C
InChI
InChI=1S/C20H19ClN2O3/c1-10-14-9-25-20(2,3)8-13(14)15-16(22)18(26-19(15)23-10)17(24)11-4-6-12(21)7-5-11/h4-7H,8-9,22H2,1-3H3
InChIKey
BHCDHTHKTDHASH-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)-(4-chlorophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.10843 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.11571 185.3
[M+Na]+ 393.09765 201.4
[M+NH4]+ 388.14225 195.0
[M+K]+ 409.07159 193.9
[M-H]- 369.10115 192.8
[M+Na-2H]- 391.08310 191.4
[M]+ 370.10788 190.4
[M]- 370.10898 190.4
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.