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]+ 274.13121 161.0
[M+Na]+ 296.11315 166.4
[M-H]- 272.11665 168.0
[M+NH4]+ 291.15775 175.6
[M+K]+ 312.08709 153.9
[M+H-H2O]+ 256.12119 160.8
[M+HCOO]- 318.12213 184.7
[M+CH3COO]- 332.13778 189.6
[M+Na-2H]- 294.09860 171.7
[M]+ 273.12338 158.4
[M]- 273.12448 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.