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

16
Patents

307.1532 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.160476 171.3
[M+Na]+ 330.142418 175.2
[M-H]- 306.145924 176.4
[M+NH4]+ 325.187023 185.2
[M+K]+ 346.116358 168.9
[M+H-H2O]+ 290.150460 167.6
[M+HCOO]- 352.151401 193.5
[M+CH3COO]- 366.167051 201.2
[M+Na-2H]- 328.127866 173.6
[M]+ 307.15265142 169.5
[M]- 307.15374858 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