CID 25342

Prophenoxamine free base

Structural Information

Molecular Formula
C22H31NO
SMILES
CCN(CC)C(CC(C)C1=CC=CC=C1)C2=CC=C(C=C2)OCC
InChI
InChI=1S/C22H31NO/c1-5-23(6-2)22(17-18(4)19-11-9-8-10-12-19)20-13-15-21(16-14-20)24-7-3/h8-16,18,22H,5-7,17H2,1-4H3
InChIKey
FCLYRXWNSYOOPG-UHFFFAOYSA-N
Compound name
1-(4-ethoxyphenyl)-N,N-diethyl-3-phenylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

325.24057 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.24785 184.8
[M+Na]+ 348.22979 187.4
[M-H]- 324.23329 191.4
[M+NH4]+ 343.27439 198.7
[M+K]+ 364.20373 184.5
[M+H-H2O]+ 308.23783 175.5
[M+HCOO]- 370.23877 206.1
[M+CH3COO]- 384.25442 219.0
[M+Na-2H]- 346.21524 184.8
[M]+ 325.24002 187.7
[M]- 325.24112 187.7
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

patents stripe