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 193.8
[M+Na]+ 391.25942 195.1
[M-H]- 367.26292 201.4
[M+NH4]+ 386.30402 205.7
[M+K]+ 407.23336 186.8
[M+H-H2O]+ 351.26746 186.9
[M+HCOO]- 413.26840 215.7
[M+CH3COO]- 427.28405 225.6
[M+Na-2H]- 389.24487 196.9
[M]+ 368.26965 193.5
[M]- 368.27075 193.5
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.