CID 24837384

97669-74-4

Structural Information

Molecular Formula
C26H32N4O4
SMILES
CCC(=O)N1C2CCC1CN(C2)C(C/C=N/OC(=O)NC3=CC=C(C=C3)OC)C4=CC=CC=C4
InChI
InChI=1S/C26H32N4O4/c1-3-25(31)30-21-11-12-22(30)18-29(17-21)24(19-7-5-4-6-8-19)15-16-27-34-26(32)28-20-9-13-23(33-2)14-10-20/h4-10,13-14,16,21-22,24H,3,11-12,15,17-18H2,1-2H3,(H,28,32)/b27-16+
InChIKey
ORYMRFHYQGYWNT-JVWAILMASA-N
Compound name
[(E)-[3-phenyl-3-(8-propanoyl-3,8-diazabicyclo[3.2.1]octan-3-yl)propylidene]amino] N-(4-methoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.24237 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.24965 212.6
[M+Na]+ 487.23159 220.7
[M+NH4]+ 482.27619 217.2
[M+K]+ 503.20553 216.5
[M-H]- 463.23509 215.7
[M+Na-2H]- 485.21704 215.7
[M]+ 464.24182 214.0
[M]- 464.24292 214.0
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.