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 171.3
[M+Na]+ 330.14242 175.2
[M-H]- 306.14592 176.4
[M+NH4]+ 325.18702 185.2
[M+K]+ 346.11636 168.9
[M+H-H2O]+ 290.15046 167.6
[M+HCOO]- 352.15140 193.5
[M+CH3COO]- 366.16705 201.2
[M+Na-2H]- 328.12787 173.6
[M]+ 307.15265 169.5
[M]- 307.15375 169.5
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

patents stripe