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 197.0
[M+Na]+ 422.20504 207.9
[M+NH4]+ 417.24964 202.8
[M+K]+ 438.17898 203.9
[M-H]- 398.20854 202.9
[M+Na-2H]- 420.19049 203.4
[M]+ 399.21527 199.9
[M]- 399.21637 199.9
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.