CID 3078830

122892-80-2

Structural Information

Molecular Formula
C18H21N3O4
SMILES
CN(C)CCOC1=CC=C(C=C1)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C18H21N3O4/c1-20(2)10-11-25-17-8-6-14(7-9-17)13-19-18(22)15-4-3-5-16(12-15)21(23)24/h3-9,12H,10-11,13H2,1-2H3,(H,19,22)
InChIKey
GNHJCPGGHGYXHT-UHFFFAOYSA-N
Compound name
N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.1532 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.16048 180.0
[M+Na]+ 366.14242 191.6
[M+NH4]+ 361.18702 186.3
[M+K]+ 382.11636 187.9
[M-H]- 342.14592 185.7
[M+Na-2H]- 364.12787 187.1
[M]+ 343.15265 182.9
[M]- 343.15375 182.9
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.