CID 24847640

C 3204

Structural Information

Molecular Formula
C16H25ClN2O
SMILES
CCCCNC(CCC)C(=O)NC1=C(C=CC=C1Cl)C
InChI
InChI=1S/C16H25ClN2O/c1-4-6-11-18-14(8-5-2)16(20)19-15-12(3)9-7-10-13(15)17/h7,9-10,14,18H,4-6,8,11H2,1-3H3,(H,19,20)
InChIKey
PSWWYUBLTAPVSO-UHFFFAOYSA-N
Compound name
2-(butylamino)-N-(2-chloro-6-methylphenyl)pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.16553 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.17281 173.9
[M+Na]+ 319.15475 179.0
[M-H]- 295.15825 176.7
[M+NH4]+ 314.19935 189.8
[M+K]+ 335.12869 174.2
[M+H-H2O]+ 279.16279 167.5
[M+HCOO]- 341.16373 192.0
[M+CH3COO]- 355.17938 210.5
[M+Na-2H]- 317.14020 174.4
[M]+ 296.16498 177.1
[M]- 296.16608 177.1
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.