CID 24941262

Grl0617

Structural Information

Molecular Formula
C20H20N2O
SMILES
CC1=C(C=C(C=C1)N)C(=O)N[C@H](C)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C20H20N2O/c1-13-10-11-16(21)12-19(13)20(23)22-14(2)17-9-5-7-15-6-3-4-8-18(15)17/h3-12,14H,21H2,1-2H3,(H,22,23)/t14-/m1/s1
InChIKey
UVERBUNNCOKGNZ-CQSZACIVSA-N
Compound name
5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

35
References

75
Patents

304.15756 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.16484 173.2
[M+Na]+ 327.14678 179.3
[M-H]- 303.15028 180.2
[M+NH4]+ 322.19138 188.1
[M+K]+ 343.12072 174.1
[M+H-H2O]+ 287.15482 164.7
[M+HCOO]- 349.15576 195.0
[M+CH3COO]- 363.17141 212.9
[M+Na-2H]- 325.13223 176.5
[M]+ 304.15701 171.3
[M]- 304.15811 171.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe