CID 202276

N-((1-ethyl-2-pyrrolidinyl)methyl)-2-methoxy-5-nitrobenzamide monohydrochloride

Structural Information

Molecular Formula
C15H21N3O4
SMILES
CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])OC
InChI
InChI=1S/C15H21N3O4/c1-3-17-8-4-5-12(17)10-16-15(19)13-9-11(18(20)21)6-7-14(13)22-2/h6-7,9,12H,3-5,8,10H2,1-2H3,(H,16,19)
InChIKey
DVRHYBYPKBFJKY-UHFFFAOYSA-N
Compound name
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

307.1532 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.16048 170.6
[M+Na]+ 330.14242 180.2
[M+NH4]+ 325.18702 176.5
[M+K]+ 346.11636 179.6
[M-H]- 306.14592 173.8
[M+Na-2H]- 328.12787 174.4
[M]+ 307.15265 172.3
[M]- 307.15375 172.3
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

patents stripe