CID 3073508

149749-93-9

Structural Information

Molecular Formula
C24H38N2O3
SMILES
CCN(CC)CC1C2CCC(C1OC(=O)NC3=CC=CC=C3OCC)(C2(C)C)C
InChI
InChI=1S/C24H38N2O3/c1-7-26(8-2)16-17-18-14-15-24(6,23(18,4)5)21(17)29-22(27)25-19-12-10-11-13-20(19)28-9-3/h10-13,17-18,21H,7-9,14-16H2,1-6H3,(H,25,27)
InChIKey
PWBUVUDPNVXFCO-UHFFFAOYSA-N
Compound name
[3-(diethylaminomethyl)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] N-(2-ethoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.28824 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.295516 200.2
[M+Na]+ 425.277458 204.6
[M-H]- 401.280964 206.9
[M+NH4]+ 420.322063 220.7
[M+K]+ 441.251398 202.0
[M+H-H2O]+ 385.285500 194.6
[M+HCOO]- 447.286441 220.1
[M+CH3COO]- 461.302091 233.3
[M+Na-2H]- 423.262906 198.7
[M]+ 402.28769142 205.6
[M]- 402.28878858 205.6
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.