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]+ 312.18373 176.9
[M+Na]+ 334.16567 186.0
[M+NH4]+ 329.21027 183.9
[M+K]+ 350.13961 179.7
[M-H]- 310.16917 180.1
[M+Na-2H]- 332.15112 181.7
[M]+ 311.17590 179.1
[M]- 311.17700 179.1
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.