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]+ 323.175396 176.0
[M+Na]+ 345.157338 189.8
[M-H]- 321.160844 180.0
[M+NH4]+ 340.201943 193.7
[M+K]+ 361.131278 180.3
[M+H-H2O]+ 305.165380 161.6
[M+HCOO]- 367.166321 186.0
[M+CH3COO]- 381.181971 185.8
[M+Na-2H]- 343.142786 181.7
[M]+ 322.16757142 172.9
[M]- 322.16866858 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