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]+ 273.12338 160.3
[M+Na]+ 295.10532 163.9
[M-H]- 271.10882 165.1
[M+NH4]+ 290.14992 174.0
[M+K]+ 311.07926 156.3
[M+H-H2O]+ 255.11336 156.7
[M+HCOO]- 317.11430 184.0
[M+CH3COO]- 331.12995 192.6
[M+Na-2H]- 293.09077 166.8
[M]+ 272.11555 157.1
[M]- 272.11665 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