CID 490554

4-phenoxy-n-sec-butyl-aniline

Structural Information

Molecular Formula
C16H19NO
SMILES
CCC(C)NC1=CC=C(C=C1)OC2=CC=CC=C2
InChI
InChI=1S/C16H19NO/c1-3-13(2)17-14-9-11-16(12-10-14)18-15-7-5-4-6-8-15/h4-13,17H,3H2,1-2H3
InChIKey
PRIWDNSFVIAXKM-UHFFFAOYSA-N
Compound name
N-butan-2-yl-4-phenoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

241.14667 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.15395 156.5
[M+Na]+ 264.13589 162.0
[M-H]- 240.13939 162.8
[M+NH4]+ 259.18049 173.4
[M+K]+ 280.10983 158.6
[M+H-H2O]+ 224.14393 148.6
[M+HCOO]- 286.14487 180.5
[M+CH3COO]- 300.16052 196.9
[M+Na-2H]- 262.12134 161.9
[M]+ 241.14612 156.7
[M]- 241.14722 156.7
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

No patent data available for this compound.