CID 59727

Ammonium, (3-(p-amino-n-(p-methoxybenzyl)benzamido)propyl)diethylmethyl-, bromide

Structural Information

Molecular Formula
C23H34N3O2
SMILES
CC[N+](C)(CC)CCCN(CC1=CC=C(C=C1)OC)C(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C23H33N3O2/c1-5-26(3,6-2)17-7-16-25(18-19-8-14-22(28-4)15-9-19)23(27)20-10-12-21(24)13-11-20/h8-15H,5-7,16-18H2,1-4H3,(H-,24,27)/p+1
InChIKey
VCZFOSKAAZDPSG-UHFFFAOYSA-O
Compound name
3-[(4-aminobenzoyl)-[(4-methoxyphenyl)methyl]amino]propyl-diethyl-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.2651 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.27238 197.4
[M+Na]+ 407.25432 199.7
[M-H]- 383.25782 205.2
[M+NH4]+ 402.29892 208.9
[M+K]+ 423.22826 191.5
[M+H-H2O]+ 367.26236 190.2
[M+HCOO]- 429.26330 220.4
[M+CH3COO]- 443.27895 228.0
[M+Na-2H]- 405.23977 201.1
[M]+ 384.26455 199.4
[M]- 384.26565 199.4
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.