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

1
Patents

343.1532 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.160476 180.3
[M+Na]+ 366.142418 183.2
[M-H]- 342.145924 187.6
[M+NH4]+ 361.187023 192.1
[M+K]+ 382.116358 177.4
[M+H-H2O]+ 326.150460 175.2
[M+HCOO]- 388.151401 206.2
[M+CH3COO]- 402.167051 214.1
[M+Na-2H]- 364.127866 184.9
[M]+ 343.15265142 181.3
[M]- 343.15374858 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