CID 5475586

(e/z)-bci

Structural Information

Molecular Formula
C22H23NO
SMILES
C1CCC(CC1)NC\2C3=CC=CC=C3C(=O)/C2=C\C4=CC=CC=C4
InChI
InChI=1S/C22H23NO/c24-22-19-14-8-7-13-18(19)21(23-17-11-5-2-6-12-17)20(22)15-16-9-3-1-4-10-16/h1,3-4,7-10,13-15,17,21,23H,2,5-6,11-12H2/b20-15-
InChIKey
XJDKPLZUXCIMIS-HKWRFOASSA-N
Compound name
(2Z)-2-benzylidene-3-(cyclohexylamino)-3H-inden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

317.17798 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.185256 176.1
[M+Na]+ 340.167198 180.2
[M-H]- 316.170704 185.4
[M+NH4]+ 335.211803 192.3
[M+K]+ 356.141138 173.3
[M+H-H2O]+ 300.175240 167.3
[M+HCOO]- 362.176181 195.5
[M+CH3COO]- 376.191831 186.0
[M+Na-2H]- 338.152646 176.8
[M]+ 317.17743142 169.4
[M]- 317.17852858 169.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe