CID 208614

Brn 2860754

Structural Information

Molecular Formula
C17H28ClN3O
SMILES
CCN(CC)CCCC(C)NC(=O)C1=C(C=CC(=C1)Cl)NC
InChI
InChI=1S/C17H28ClN3O/c1-5-21(6-2)11-7-8-13(3)20-17(22)15-12-14(18)9-10-16(15)19-4/h9-10,12-13,19H,5-8,11H2,1-4H3,(H,20,22)
InChIKey
RQHOKSQWQUYMFV-UHFFFAOYSA-N
Compound name
5-chloro-N-[5-(diethylamino)pentan-2-yl]-2-(methylamino)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.19208 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.19936 183.3
[M+Na]+ 348.18130 187.2
[M-H]- 324.18480 187.3
[M+NH4]+ 343.22590 198.3
[M+K]+ 364.15524 183.7
[M+H-H2O]+ 308.18934 176.1
[M+HCOO]- 370.19028 202.6
[M+CH3COO]- 384.20593 221.9
[M+Na-2H]- 346.16675 182.7
[M]+ 325.19153 187.4
[M]- 325.19263 187.4
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.