CID 207492

Brn 1223431

Structural Information

Molecular Formula
C21H27NO2
SMILES
CC(C)C(CCN1CCOCC1)(C=O)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C21H27NO2/c1-17(2)21(16-23,10-11-22-12-14-24-15-13-22)20-9-5-7-18-6-3-4-8-19(18)20/h3-9,16-17H,10-15H2,1-2H3
InChIKey
HNWSUDZIIARMMQ-UHFFFAOYSA-N
Compound name
3-methyl-2-(2-morpholin-4-ylethyl)-2-naphthalen-1-ylbutanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.2042 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.211476 180.8
[M+Na]+ 348.193418 183.9
[M-H]- 324.196924 185.7
[M+NH4]+ 343.238023 192.4
[M+K]+ 364.167358 180.6
[M+H-H2O]+ 308.201460 171.5
[M+HCOO]- 370.202401 193.9
[M+CH3COO]- 384.218051 210.0
[M+Na-2H]- 346.178866 184.8
[M]+ 325.20365142 179.1
[M]- 325.20474858 179.1
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.