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 180.3
[M+Na]+ 366.14242 183.2
[M-H]- 342.14592 187.6
[M+NH4]+ 361.18702 192.1
[M+K]+ 382.11636 177.4
[M+H-H2O]+ 326.15046 175.2
[M+HCOO]- 388.15140 206.2
[M+CH3COO]- 402.16705 214.1
[M+Na-2H]- 364.12787 184.9
[M]+ 343.15265 181.3
[M]- 343.15375 181.3
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