CID 39646

Brn 2472573

Structural Information

Molecular Formula
C21H29ClN2O
SMILES
CCCCN(CCN(CC)CC)C(=O)C1=CC=CC2=C1C=CC(=C2)Cl
InChI
InChI=1S/C21H29ClN2O/c1-4-7-13-24(15-14-23(5-2)6-3)21(25)20-10-8-9-17-16-18(22)11-12-19(17)20/h8-12,16H,4-7,13-15H2,1-3H3
InChIKey
UWLLQQADKIXSIR-UHFFFAOYSA-N
Compound name
N-butyl-6-chloro-N-[2-(diethylamino)ethyl]naphthalene-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.19684 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.20412 191.5
[M+Na]+ 383.18606 196.3
[M-H]- 359.18956 197.3
[M+NH4]+ 378.23066 206.9
[M+K]+ 399.16000 192.0
[M+H-H2O]+ 343.19410 183.5
[M+HCOO]- 405.19504 209.7
[M+CH3COO]- 419.21069 228.6
[M+Na-2H]- 381.17151 192.4
[M]+ 360.19629 198.5
[M]- 360.19739 198.5
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.