CID 3775

Isopropamide

Structural Information

Molecular Formula
C23H33N2O
SMILES
CC(C)[N+](C)(CCC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)N)C(C)C
InChI
InChI=1S/C23H32N2O/c1-18(2)25(5,19(3)4)17-16-23(22(24)26,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,18-19H,16-17H2,1-5H3,(H-,24,26)/p+1
InChIKey
JTPUMZTWMWIVPA-UHFFFAOYSA-O
Compound name
(4-amino-4-oxo-3,3-diphenylbutyl)-methyl-di(propan-2-yl)azanium
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

68
References

5726
Patents

353.25928 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.266556 187.7
[M+Na]+ 376.248498 189.0
[M-H]- 352.252004 194.0
[M+NH4]+ 371.293103 199.7
[M+K]+ 392.222438 180.4
[M+H-H2O]+ 336.256540 182.1
[M+HCOO]- 398.257481 205.6
[M+CH3COO]- 412.273131 218.0
[M+Na-2H]- 374.233946 191.9
[M]+ 353.25873142 185.5
[M]- 353.25982858 185.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe