CID 201949

N-(3-(diethylamino)propyl)-n-(alpha-methylbenzyl)-p-nitrobenzamide hydrochloride

Structural Information

Molecular Formula
C22H29N3O3
SMILES
CCN(CC)CCCN(C(C)C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C22H29N3O3/c1-4-23(5-2)16-9-17-24(18(3)19-10-7-6-8-11-19)22(26)20-12-14-21(15-13-20)25(27)28/h6-8,10-15,18H,4-5,9,16-17H2,1-3H3
InChIKey
OTAKEDTXEDMAQU-UHFFFAOYSA-N
Compound name
N-[3-(diethylamino)propyl]-4-nitro-N-(1-phenylethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.2209 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.22818 193.7
[M+Na]+ 406.21012 204.4
[M+NH4]+ 401.25472 199.9
[M+K]+ 422.18406 200.4
[M-H]- 382.21362 199.8
[M+Na-2H]- 404.19557 200.4
[M]+ 383.22035 196.6
[M]- 383.22145 196.6
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.

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No patent data available for this compound.