CID 24843598

97670-09-2

Structural Information

Molecular Formula
C24H30N4O3
SMILES
CN1C2CCC1CN(C2)CC/C(=N/OC(=O)NC3=CC=C(C=C3)OC)/C4=CC=CC=C4
InChI
InChI=1S/C24H30N4O3/c1-27-20-10-11-21(27)17-28(16-20)15-14-23(18-6-4-3-5-7-18)26-31-24(29)25-19-8-12-22(30-2)13-9-19/h3-9,12-13,20-21H,10-11,14-17H2,1-2H3,(H,25,29)/b26-23-
InChIKey
KNYCXEUJYZEZKO-RWEWTDSWSA-N
Compound name
[(Z)-[3-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-1-phenylpropylidene]amino] N-(4-methoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.23178 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.23906 203.3
[M+Na]+ 445.22100 212.8
[M+NH4]+ 440.26560 209.3
[M+K]+ 461.19494 207.6
[M-H]- 421.22450 207.5
[M+Na-2H]- 443.20645 207.6
[M]+ 422.23123 205.4
[M]- 422.23233 205.4
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.