CID 204859

Brn 1399653

Structural Information

Molecular Formula
C22H32N2O2
SMILES
CC1(C2CCC1(C(C2CN3CCCC3)OC(=O)C4=CC=C(C=C4)N)C)C
InChI
InChI=1S/C22H32N2O2/c1-21(2)18-10-11-22(21,3)19(17(18)14-24-12-4-5-13-24)26-20(25)15-6-8-16(23)9-7-15/h6-9,17-19H,4-5,10-14,23H2,1-3H3
InChIKey
QORQZMUVKBMEFK-UHFFFAOYSA-N
Compound name
[1,7,7-trimethyl-3-(pyrrolidin-1-ylmethyl)-2-bicyclo[2.2.1]heptanyl] 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.24637 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.25365 186.9
[M+Na]+ 379.23559 193.8
[M+NH4]+ 374.28019 197.4
[M+K]+ 395.20953 189.7
[M-H]- 355.23909 190.0
[M+Na-2H]- 377.22104 190.9
[M]+ 356.24582 188.8
[M]- 356.24692 188.8
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.