CID 39643

50341-63-4

Structural Information

Molecular Formula
C16H20N2O
SMILES
CC(C)NCCNC(=O)C1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C16H20N2O/c1-12(2)17-10-11-18-16(19)15-9-5-7-13-6-3-4-8-14(13)15/h3-9,12,17H,10-11H2,1-2H3,(H,18,19)
InChIKey
DNHMOKOBAOCWHL-UHFFFAOYSA-N
Compound name
N-[2-(propan-2-ylamino)ethyl]naphthalene-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.15756 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.16484 160.5
[M+Na]+ 279.14678 165.2
[M-H]- 255.15028 164.3
[M+NH4]+ 274.19138 177.7
[M+K]+ 295.12072 161.7
[M+H-H2O]+ 239.15482 153.1
[M+HCOO]- 301.15576 183.0
[M+CH3COO]- 315.17141 203.1
[M+Na-2H]- 277.13223 165.8
[M]+ 256.15701 159.9
[M]- 256.15811 159.9
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

patents stripe