CID 99696

Nsc 180654

Structural Information

Molecular Formula
C22H29NO2
SMILES
CCC(C)C(CCN1CCOCC1)(C=O)C2=CC3=CC=CC=C3C=C2
InChI
InChI=1S/C22H29NO2/c1-3-18(2)22(17-24,10-11-23-12-14-25-15-13-23)21-9-8-19-6-4-5-7-20(19)16-21/h4-9,16-18H,3,10-15H2,1-2H3
InChIKey
IMEADGKDCFBYKR-UHFFFAOYSA-N
Compound name
3-methyl-2-(2-morpholin-4-ylethyl)-2-naphthalen-2-ylpentanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.21982 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.227096 185.4
[M+Na]+ 362.209038 188.1
[M-H]- 338.212544 190.1
[M+NH4]+ 357.253643 196.4
[M+K]+ 378.182978 184.5
[M+H-H2O]+ 322.217080 175.8
[M+HCOO]- 384.218021 198.1
[M+CH3COO]- 398.233671 212.9
[M+Na-2H]- 360.194486 188.8
[M]+ 339.21927142 184.0
[M]- 339.22036858 184.0
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.