CID 14149606

115662-11-8

Structural Information

Molecular Formula
C20H22N2O2
SMILES
CC1(CCN2CCC(C3=C4C(=CC1=C32)C=C(C(=O)O4)C#N)(C)C)C
InChI
InChI=1S/C20H22N2O2/c1-19(2)5-7-22-8-6-20(3,4)15-16(22)14(19)10-12-9-13(11-21)18(23)24-17(12)15/h9-10H,5-8H2,1-4H3
InChIKey
IHSTUENJAUHYKZ-UHFFFAOYSA-N
Compound name
10,10,16,16-tetramethyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

322.16812 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.17540 176.0
[M+Na]+ 345.15734 189.8
[M-H]- 321.16084 180.0
[M+NH4]+ 340.20194 193.7
[M+K]+ 361.13128 180.3
[M+H-H2O]+ 305.16538 161.6
[M+HCOO]- 367.16632 186.0
[M+CH3COO]- 381.18197 185.8
[M+Na-2H]- 343.14279 181.7
[M]+ 322.16757 172.9
[M]- 322.16867 172.9
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

patents stripe