CID 291219

3-amino-2-phenyl-1h-inden-1-one

Structural Information

Molecular Formula
C15H11NO
SMILES
C1=CC=C(C=C1)C2=C(C3=CC=CC=C3C2=O)N
InChI
InChI=1S/C15H11NO/c16-14-11-8-4-5-9-12(11)15(17)13(14)10-6-2-1-3-7-10/h1-9H,16H2
InChIKey
HLEKBTIHDXNOQP-UHFFFAOYSA-N
Compound name
3-amino-2-phenylinden-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

7
Patents

221.08406 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.091336 147.1
[M+Na]+ 244.073278 156.9
[M-H]- 220.076784 155.2
[M+NH4]+ 239.117883 168.0
[M+K]+ 260.047218 151.7
[M+H-H2O]+ 204.081320 140.5
[M+HCOO]- 266.082261 172.6
[M+CH3COO]- 280.097911 161.1
[M+Na-2H]- 242.058726 152.4
[M]+ 221.08351142 146.4
[M]- 221.08460858 146.4
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