CID 59377

C 5347

Structural Information

Molecular Formula
C23H40ClN3O
SMILES
CCCCCCCCN(CCN(CC)CC)CC(=O)NC1=C(C=CC=C1Cl)C
InChI
InChI=1S/C23H40ClN3O/c1-5-8-9-10-11-12-16-27(18-17-26(6-2)7-3)19-22(28)25-23-20(4)14-13-15-21(23)24/h13-15H,5-12,16-19H2,1-4H3,(H,25,28)
InChIKey
GHVHODVDZSAHOF-UHFFFAOYSA-N
Compound name
N-(2-chloro-6-methylphenyl)-2-[2-(diethylamino)ethyl-octylamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.28598 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.29326 210.7
[M+Na]+ 432.27520 212.4
[M-H]- 408.27870 214.9
[M+NH4]+ 427.31980 222.9
[M+K]+ 448.24914 208.3
[M+H-H2O]+ 392.28324 201.9
[M+HCOO]- 454.28418 229.4
[M+CH3COO]- 468.29983 242.0
[M+Na-2H]- 430.26065 207.4
[M]+ 409.28543 218.8
[M]- 409.28653 218.8
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

No patent data available for this compound.