CID 2735476

2-benzylamino-1-(4-nitro-phenyl)-ethanol

Structural Information

Molecular Formula
C15H16N2O3
SMILES
C1=CC=C(C=C1)CNCC(C2=CC=C(C=C2)[N+](=O)[O-])O
InChI
InChI=1S/C15H16N2O3/c18-15(11-16-10-12-4-2-1-3-5-12)13-6-8-14(9-7-13)17(19)20/h1-9,15-16,18H,10-11H2
InChIKey
JDCPMOWSBPLTHF-UHFFFAOYSA-N
Compound name
2-(benzylamino)-1-(4-nitrophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

272.1161 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.123376 160.3
[M+Na]+ 295.105318 163.9
[M-H]- 271.108824 165.1
[M+NH4]+ 290.149923 174.0
[M+K]+ 311.079258 156.3
[M+H-H2O]+ 255.113360 156.7
[M+HCOO]- 317.114301 184.0
[M+CH3COO]- 331.129951 192.6
[M+Na-2H]- 293.090766 166.8
[M]+ 272.11555142 157.1
[M]- 272.11664858 157.1
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