CID 202705

M-anisidine, 4-((5-(p-nitrophenyl)pentyl)oxy)-

Structural Information

Molecular Formula
C18H22N2O4
SMILES
COC1=C(C=CC(=C1)N)OCCCCCC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C18H22N2O4/c1-23-18-13-15(19)8-11-17(18)24-12-4-2-3-5-14-6-9-16(10-7-14)20(21)22/h6-11,13H,2-5,12,19H2,1H3
InChIKey
AKKOFTLBVRTMGP-UHFFFAOYSA-N
Compound name
3-methoxy-4-[5-(4-nitrophenyl)pentoxy]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.15796 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.16524 178.8
[M+Na]+ 353.14718 183.5
[M-H]- 329.15068 184.6
[M+NH4]+ 348.19178 191.1
[M+K]+ 369.12112 175.9
[M+H-H2O]+ 313.15522 174.3
[M+HCOO]- 375.15616 203.5
[M+CH3COO]- 389.17181 207.2
[M+Na-2H]- 351.13263 183.1
[M]+ 330.15741 180.2
[M]- 330.15851 180.2
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.