CID 202706

13123-90-5

Structural Information

Molecular Formula
C20H27NO2
SMILES
CN(C)C1=CC(=C(C=C1)OCCCCCC2=CC=CC=C2)OC
InChI
InChI=1S/C20H27NO2/c1-21(2)18-13-14-19(20(16-18)22-3)23-15-9-5-8-12-17-10-6-4-7-11-17/h4,6-7,10-11,13-14,16H,5,8-9,12,15H2,1-3H3
InChIKey
BELYAURMVSGIAD-UHFFFAOYSA-N
Compound name
3-methoxy-N,N-dimethyl-4-(5-phenylpentoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.2042 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.21148 178.1
[M+Na]+ 336.19342 183.1
[M-H]- 312.19692 185.4
[M+NH4]+ 331.23802 193.0
[M+K]+ 352.16736 180.3
[M+H-H2O]+ 296.20146 168.9
[M+HCOO]- 358.20240 202.4
[M+CH3COO]- 372.21805 214.6
[M+Na-2H]- 334.17887 181.0
[M]+ 313.20365 183.4
[M]- 313.20475 183.4
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