CID 40528

Schembl11762403

Structural Information

Molecular Formula
C20H28NO
SMILES
CC1(C2CCC1(C(=O)C2=CC3=CC=C(C=C3)[N+](C)(C)C)C)C
InChI
InChI=1S/C20H28NO/c1-19(2)17-11-12-20(19,3)18(22)16(17)13-14-7-9-15(10-8-14)21(4,5)6/h7-10,13,17H,11-12H2,1-6H3/q+1
InChIKey
QGISLNJSJIGSLZ-UHFFFAOYSA-N
Compound name
trimethyl-[4-[(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene)methyl]phenyl]azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

729
Patents

298.2171 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.22438 169.1
[M+Na]+ 321.20632 181.1
[M+NH4]+ 316.25092 182.1
[M+K]+ 337.18026 174.3
[M-H]- 297.20982 173.9
[M+Na-2H]- 319.19177 176.4
[M]+ 298.21655 172.9
[M]- 298.21765 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