CID 201755

Np 1042

Structural Information

Molecular Formula
C16H26ClN3O
SMILES
CCN(CC)CCNC(=O)C(C)N(C)C1=CC=C(C=C1)Cl
InChI
InChI=1S/C16H26ClN3O/c1-5-20(6-2)12-11-18-16(21)13(3)19(4)15-9-7-14(17)8-10-15/h7-10,13H,5-6,11-12H2,1-4H3,(H,18,21)
InChIKey
CZMRPKDKVYWZMA-UHFFFAOYSA-N
Compound name
2-(4-chloro-N-methylanilino)-N-[2-(diethylamino)ethyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.17645 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.183726 179.0
[M+Na]+ 334.165668 182.7
[M-H]- 310.169174 184.4
[M+NH4]+ 329.210273 194.9
[M+K]+ 350.139608 180.7
[M+H-H2O]+ 294.173710 171.6
[M+HCOO]- 356.174651 199.2
[M+CH3COO]- 370.190301 221.1
[M+Na-2H]- 332.151116 179.0
[M]+ 311.17590142 183.7
[M]- 311.17699858 183.7
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.