CID 3023127

93966-58-6

Structural Information

Molecular Formula
C20H28N2O2
SMILES
CCCCOCC(CNC1=CC=C(C=C1)CC2=CC=C(C=C2)N)O
InChI
InChI=1S/C20H28N2O2/c1-2-3-12-24-15-20(23)14-22-19-10-6-17(7-11-19)13-16-4-8-18(21)9-5-16/h4-11,20,22-23H,2-3,12-15,21H2,1H3
InChIKey
HBHGSQLFKAKHML-UHFFFAOYSA-N
Compound name
1-[4-[(4-aminophenyl)methyl]anilino]-3-butoxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.2151 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.222376 181.5
[M+Na]+ 351.204318 184.6
[M-H]- 327.207824 185.3
[M+NH4]+ 346.248923 193.7
[M+K]+ 367.178258 179.8
[M+H-H2O]+ 311.212360 172.5
[M+HCOO]- 373.213301 203.1
[M+CH3COO]- 387.228951 214.2
[M+Na-2H]- 349.189766 183.0
[M]+ 328.21455142 181.3
[M]- 328.21564858 181.3
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.