CID 36132

Brn 2465479

Structural Information

Molecular Formula
C17H21ClN2O
SMILES
CCN(CC)CCNC(=O)C1=CC=CC2=C1C=CC(=C2)Cl
InChI
InChI=1S/C17H21ClN2O/c1-3-20(4-2)11-10-19-17(21)16-7-5-6-13-12-14(18)8-9-15(13)16/h5-9,12H,3-4,10-11H2,1-2H3,(H,19,21)
InChIKey
NHBNZCISKRZZMO-UHFFFAOYSA-N
Compound name
6-chloro-N-[2-(diethylamino)ethyl]naphthalene-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.13425 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.14153 172.4
[M+Na]+ 327.12347 178.9
[M-H]- 303.12697 177.6
[M+NH4]+ 322.16807 189.6
[M+K]+ 343.09741 174.2
[M+H-H2O]+ 287.13151 165.5
[M+HCOO]- 349.13245 191.6
[M+CH3COO]- 363.14810 213.4
[M+Na-2H]- 325.10892 176.3
[M]+ 304.13370 176.8
[M]- 304.13480 176.8
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