CID 2760313

2-pentyloxy-5-phenylaniline

Structural Information

Molecular Formula
C17H21NO
SMILES
CCCCCOC1=C(C=C(C=C1)C2=CC=CC=C2)N
InChI
InChI=1S/C17H21NO/c1-2-3-7-12-19-17-11-10-15(13-16(17)18)14-8-5-4-6-9-14/h4-6,8-11,13H,2-3,7,12,18H2,1H3
InChIKey
AMXKEKVPPZQNHN-UHFFFAOYSA-N
Compound name
2-pentoxy-5-phenylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.16231 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.16959 161.1
[M+Na]+ 278.15153 167.5
[M-H]- 254.15503 167.0
[M+NH4]+ 273.19613 177.7
[M+K]+ 294.12547 162.9
[M+H-H2O]+ 238.15957 153.1
[M+HCOO]- 300.16051 185.1
[M+CH3COO]- 314.17616 199.6
[M+Na-2H]- 276.13698 165.4
[M]+ 255.16176 161.7
[M]- 255.16286 161.7
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

No patent data available for this compound.