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 188.5
[M+Na]+ 379.23559 193.9
[M-H]- 355.23909 196.0
[M+NH4]+ 374.28019 210.3
[M+K]+ 395.20953 189.3
[M+H-H2O]+ 339.24363 182.6
[M+HCOO]- 401.24457 205.1
[M+CH3COO]- 415.26022 198.3
[M+Na-2H]- 377.22104 184.1
[M]+ 356.24582 186.6
[M]- 356.24692 186.6
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.