CID 202439

10404-42-9

Structural Information

Molecular Formula
C21H30N2O
SMILES
CC(C)C(CCCCN(C)C)(C1=CC=CC2=CC=CC=C21)C(=O)N
InChI
InChI=1S/C21H30N2O/c1-16(2)21(20(22)24,14-7-8-15-23(3)4)19-13-9-11-17-10-5-6-12-18(17)19/h5-6,9-13,16H,7-8,14-15H2,1-4H3,(H2,22,24)
InChIKey
DQSBVIAKTRRBKE-UHFFFAOYSA-N
Compound name
6-(dimethylamino)-2-naphthalen-1-yl-2-propan-2-ylhexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.2358 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.24308 183.9
[M+Na]+ 349.22502 186.8
[M-H]- 325.22852 187.9
[M+NH4]+ 344.26962 198.6
[M+K]+ 365.19896 183.9
[M+H-H2O]+ 309.23306 176.0
[M+HCOO]- 371.23400 202.9
[M+CH3COO]- 385.24965 221.8
[M+Na-2H]- 347.21047 185.5
[M]+ 326.23525 184.9
[M]- 326.23635 184.9
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.