CID 3068602

2-naphthaleneethanamine, 1,2-dihydro-n,n-dimethyl-4-phenyl-, ethanedioate, hydrate (2:2:1)

Structural Information

Molecular Formula
C20H23N
SMILES
CN(C)CCC1CC2=CC=CC=C2C(=C1)C3=CC=CC=C3
InChI
InChI=1S/C20H23N/c1-21(2)13-12-16-14-18-10-6-7-11-19(18)20(15-16)17-8-4-3-5-9-17/h3-11,15-16H,12-14H2,1-2H3
InChIKey
DVSVFCLYHJMACK-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-(4-phenyl-1,2-dihydronaphthalen-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.18304 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.19032 167.1
[M+Na]+ 300.17226 172.5
[M-H]- 276.17576 175.1
[M+NH4]+ 295.21686 184.3
[M+K]+ 316.14620 167.9
[M+H-H2O]+ 260.18030 158.2
[M+HCOO]- 322.18124 189.2
[M+CH3COO]- 336.19689 178.5
[M+Na-2H]- 298.15771 172.1
[M]+ 277.18249 166.6
[M]- 277.18359 166.6
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

No patent data available for this compound.