CID 201947

Benzamide, n-(3-(diethylamino)propyl)-n-(p-methoxybenzyl)-p-nitro-, hydrochloride

Structural Information

Molecular Formula
C22H29N3O4
SMILES
CCN(CC)CCCN(CC1=CC=C(C=C1)OC)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C22H29N3O4/c1-4-23(5-2)15-6-16-24(17-18-7-13-21(29-3)14-8-18)22(26)19-9-11-20(12-10-19)25(27)28/h7-14H,4-6,15-17H2,1-3H3
InChIKey
IHGFZGNUFCECOS-UHFFFAOYSA-N
Compound name
N-[3-(diethylamino)propyl]-N-[(4-methoxyphenyl)methyl]-4-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.21582 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.22310 199.9
[M+Na]+ 422.20504 201.2
[M-H]- 398.20854 207.8
[M+NH4]+ 417.24964 209.9
[M+K]+ 438.17898 195.9
[M+H-H2O]+ 382.21308 193.8
[M+HCOO]- 444.21402 224.8
[M+CH3COO]- 458.22967 229.3
[M+Na-2H]- 420.19049 201.5
[M]+ 399.21527 203.3
[M]- 399.21637 203.3
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

No patent data available for this compound.