CID 102640

1506-00-9

Structural Information

Molecular Formula
C21H28N2O2
SMILES
CC(C)C(CCN1CCOCC1)(C2=CC=CC3=CC=CC=C32)C(=O)N
InChI
InChI=1S/C21H28N2O2/c1-16(2)21(20(22)24,10-11-23-12-14-25-15-13-23)19-9-5-7-17-6-3-4-8-18(17)19/h3-9,16H,10-15H2,1-2H3,(H2,22,24)
InChIKey
BULQNWJGGGMADX-UHFFFAOYSA-N
Compound name
3-methyl-2-(2-morpholin-4-ylethyl)-2-naphthalen-1-ylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

340.2151 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.22238 184.5
[M+Na]+ 363.20432 186.4
[M-H]- 339.20782 188.9
[M+NH4]+ 358.24892 194.8
[M+K]+ 379.17826 183.4
[M+H-H2O]+ 323.21236 175.2
[M+HCOO]- 385.21330 197.0
[M+CH3COO]- 399.22895 215.3
[M+Na-2H]- 361.18977 187.0
[M]+ 340.21455 180.6
[M]- 340.21565 180.6
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

patents stripe