CID 3077168

Sr 45583 a

Structural Information

Molecular Formula
C23H40N2O
SMILES
CCCCCCCCCCCC(=O)NCCCN(C)CC1=CC=CC=C1
InChI
InChI=1S/C23H40N2O/c1-3-4-5-6-7-8-9-10-14-18-23(26)24-19-15-20-25(2)21-22-16-12-11-13-17-22/h11-13,16-17H,3-10,14-15,18-21H2,1-2H3,(H,24,26)
InChIKey
HQJQLKPAUWGWDM-UHFFFAOYSA-N
Compound name
N-[3-[benzyl(methyl)amino]propyl]dodecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

360.31406 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.32134 198.8
[M+Na]+ 383.30328 198.6
[M-H]- 359.30678 201.0
[M+NH4]+ 378.34788 211.2
[M+K]+ 399.27722 194.9
[M+H-H2O]+ 343.31132 189.2
[M+HCOO]- 405.31226 220.5
[M+CH3COO]- 419.32791 227.9
[M+Na-2H]- 381.28873 197.9
[M]+ 360.31351 203.5
[M]- 360.31461 203.5
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

patents stripe