CID 80411

6259-09-2

Structural Information

Molecular Formula
C20H26N2O2
SMILES
COC1=C(C=CC(=C1)C2(CCCCC2)C3=CC(=C(C=C3)N)OC)N
InChI
InChI=1S/C20H26N2O2/c1-23-18-12-14(6-8-16(18)21)20(10-4-3-5-11-20)15-7-9-17(22)19(13-15)24-2/h6-9,12-13H,3-5,10-11,21-22H2,1-2H3
InChIKey
FDEGVVJIAUSFKX-UHFFFAOYSA-N
Compound name
4-[1-(4-amino-3-methoxyphenyl)cyclohexyl]-2-methoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

326.19943 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.206706 179.7
[M+Na]+ 349.188648 184.9
[M-H]- 325.192154 188.1
[M+NH4]+ 344.233253 194.4
[M+K]+ 365.162588 180.5
[M+H-H2O]+ 309.196690 170.7
[M+HCOO]- 371.197631 200.2
[M+CH3COO]- 385.213281 214.2
[M+Na-2H]- 347.174096 181.1
[M]+ 326.19888142 175.4
[M]- 326.19997858 175.4
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