CID 215837

36398-94-4

Structural Information

Molecular Formula
C25H29NO3
SMILES
CC1C2CCC(C2)C1CN(CCOC(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C25H29NO3/c1-18-21-12-13-22(16-21)23(18)17-26(24(27)19-8-4-2-5-9-19)14-15-29-25(28)20-10-6-3-7-11-20/h2-11,18,21-23H,12-17H2,1H3
InChIKey
PRMXFEQFPDDVSY-UHFFFAOYSA-N
Compound name
2-[benzoyl-[(3-methyl-2-bicyclo[2.2.1]heptanyl)methyl]amino]ethyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.21475 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.22203 198.8
[M+Na]+ 414.20397 200.8
[M-H]- 390.20747 208.1
[M+NH4]+ 409.24857 214.6
[M+K]+ 430.17791 197.2
[M+H-H2O]+ 374.21201 190.7
[M+HCOO]- 436.21295 218.0
[M+CH3COO]- 450.22860 225.7
[M+Na-2H]- 412.18942 195.0
[M]+ 391.21420 199.7
[M]- 391.21530 199.7
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.