CID 205019

17191-58-1

Structural Information

Molecular Formula
C20H26N2O
SMILES
CCCC1(CN(C1)CCC2=CC=C(C=C2)N)C3=CC(=CC=C3)O
InChI
InChI=1S/C20H26N2O/c1-2-11-20(17-4-3-5-19(23)13-17)14-22(15-20)12-10-16-6-8-18(21)9-7-16/h3-9,13,23H,2,10-12,14-15,21H2,1H3
InChIKey
BEWSBBJIGKWVBO-UHFFFAOYSA-N
Compound name
3-[1-[2-(4-aminophenyl)ethyl]-3-propylazetidin-3-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.2045 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.21178 178.5
[M+Na]+ 333.19372 183.4
[M-H]- 309.19722 184.4
[M+NH4]+ 328.23832 186.3
[M+K]+ 349.16766 180.8
[M+H-H2O]+ 293.20176 164.3
[M+HCOO]- 355.20270 196.7
[M+CH3COO]- 369.21835 210.2
[M+Na-2H]- 331.17917 180.4
[M]+ 310.20395 185.2
[M]- 310.20505 185.2
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.