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 196.6
[M+Na]+ 406.21012 197.0
[M-H]- 382.21362 204.3
[M+NH4]+ 401.25472 207.1
[M+K]+ 422.18406 191.6
[M+H-H2O]+ 366.21816 190.9
[M+HCOO]- 428.21910 220.5
[M+CH3COO]- 442.23475 226.8
[M+Na-2H]- 404.19557 197.6
[M]+ 383.22035 197.8
[M]- 383.22145 197.8
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.