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

5712
Patents

353.25928 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.26656 187.7
[M+Na]+ 376.24850 189.0
[M-H]- 352.25200 194.0
[M+NH4]+ 371.29310 199.7
[M+K]+ 392.22244 180.4
[M+H-H2O]+ 336.25654 182.1
[M+HCOO]- 398.25748 205.6
[M+CH3COO]- 412.27313 218.0
[M+Na-2H]- 374.23395 191.9
[M]+ 353.25873 185.5
[M]- 353.25983 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.