CID 29927120

S205

Structural Information

Molecular Formula
C26H32N2O
SMILES
CCN(CCC(C)C)C1=CC(=CC=C1)OC2=CC(=C(C=C2)NC3=CC=CC=C3)C
InChI
InChI=1S/C26H32N2O/c1-5-28(17-16-20(2)3)23-12-9-13-24(19-23)29-25-14-15-26(21(4)18-25)27-22-10-7-6-8-11-22/h6-15,18-20,27H,5,16-17H2,1-4H3
InChIKey
ATZCYYWUOQZAFZ-UHFFFAOYSA-N
Compound name
4-[3-[ethyl(3-methylbutyl)amino]phenoxy]-2-methyl-N-phenylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.25146 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.25874 200.0
[M+Na]+ 411.24068 203.2
[M-H]- 387.24418 209.9
[M+NH4]+ 406.28528 210.9
[M+K]+ 427.21462 198.6
[M+H-H2O]+ 371.24872 188.9
[M+HCOO]- 433.24966 223.1
[M+CH3COO]- 447.26531 233.1
[M+Na-2H]- 409.22613 200.7
[M]+ 388.25091 202.2
[M]- 388.25201 202.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe