CID 48511

Dimethyl(3-hydroxyphenyl)(p-nitrobenzyl)ammonium chloride

Structural Information

Molecular Formula
C15H17N2O3
SMILES
C[N+](C)(CC1=CC=C(C=C1)[N+](=O)[O-])C2=CC(=CC=C2)O
InChI
InChI=1S/C15H16N2O3/c1-17(2,14-4-3-5-15(18)10-14)11-12-6-8-13(9-7-12)16(19)20/h3-10H,11H2,1-2H3/p+1
InChIKey
MSWMBKLSBHCDLO-UHFFFAOYSA-O
Compound name
(3-hydroxyphenyl)-dimethyl-[(4-nitrophenyl)methyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.12393 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.131206 161.0
[M+Na]+ 296.113148 166.4
[M-H]- 272.116654 168.0
[M+NH4]+ 291.157753 175.6
[M+K]+ 312.087088 153.9
[M+H-H2O]+ 256.121190 160.8
[M+HCOO]- 318.122131 184.7
[M+CH3COO]- 332.137781 189.6
[M+Na-2H]- 294.098596 171.7
[M]+ 273.12338142 158.4
[M]- 273.12447858 158.4
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

No patent data available for this compound.