CID 59729

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

Structural Information

Molecular Formula
C23H34N3O
SMILES
CC[N+](C)(CC)CCCN(C(C)C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C23H33N3O/c1-5-26(4,6-2)18-10-17-25(19(3)20-11-8-7-9-12-20)23(27)21-13-15-22(24)16-14-21/h7-9,11-16,19H,5-6,10,17-18H2,1-4H3,(H-,24,27)/p+1
InChIKey
SBHRDACIFCUOPP-UHFFFAOYSA-O
Compound name
3-[(4-aminobenzoyl)-(1-phenylethyl)amino]propyl-diethyl-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.2702 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.27748 193.2
[M+Na]+ 391.25942 205.0
[M+NH4]+ 386.30402 201.3
[M+K]+ 407.23336 198.6
[M-H]- 367.26292 200.5
[M+Na-2H]- 389.24487 201.6
[M]+ 368.26965 197.3
[M]- 368.27075 197.3
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.