CID 218126

40281-11-6

Structural Information

Molecular Formula
C15H15NO
SMILES
C1=CC=C(C=C1)C(CN)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C15H15NO/c16-11-14(12-7-3-1-4-8-12)15(17)13-9-5-2-6-10-13/h1-10,14H,11,16H2
InChIKey
RPTXZRCSXYTNPE-UHFFFAOYSA-N
Compound name
3-amino-1,2-diphenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

225.11537 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.122646 151.9
[M+Na]+ 248.104588 156.9
[M-H]- 224.108094 157.6
[M+NH4]+ 243.149193 168.7
[M+K]+ 264.078528 153.2
[M+H-H2O]+ 208.112630 144.2
[M+HCOO]- 270.113571 174.8
[M+CH3COO]- 284.129221 192.2
[M+Na-2H]- 246.090036 156.3
[M]+ 225.11482142 149.0
[M]- 225.11591858 149.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe