CID 210127

3-(n-methylanilino)-n-propyl-1-pyrrolidinecarboxanilide hydrochloride

Structural Information

Molecular Formula
C21H27N3O
SMILES
CCCN(C1=CC=CC=C1)C(=O)N2CCC(C2)N(C)C3=CC=CC=C3
InChI
InChI=1S/C21H27N3O/c1-3-15-24(19-12-8-5-9-13-19)21(25)23-16-14-20(17-23)22(2)18-10-6-4-7-11-18/h4-13,20H,3,14-17H2,1-2H3
InChIKey
WPRDUFZMDPFKMB-UHFFFAOYSA-N
Compound name
3-(N-methylanilino)-N-phenyl-N-propylpyrrolidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.21542 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.222696 183.8
[M+Na]+ 360.204638 185.8
[M-H]- 336.208144 193.6
[M+NH4]+ 355.249243 197.5
[M+K]+ 376.178578 183.3
[M+H-H2O]+ 320.212680 173.0
[M+HCOO]- 382.213621 206.2
[M+CH3COO]- 396.229271 220.4
[M+Na-2H]- 358.190086 183.6
[M]+ 337.21487142 182.5
[M]- 337.21596858 182.5
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.