CID 208050

31617-17-1

Structural Information

Molecular Formula
C19H19NO
SMILES
C1C=CCN1CC(C2=CC=CC=C2)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C19H19NO/c21-19(17-11-5-2-6-12-17)18(15-20-13-7-8-14-20)16-9-3-1-4-10-16/h1-12,18H,13-15H2
InChIKey
AEEMNYSDHPJNFA-UHFFFAOYSA-N
Compound name
3-(2,5-dihydropyrrol-1-yl)-1,2-diphenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

277.14667 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.15395 166.6
[M+Na]+ 300.13589 170.8
[M-H]- 276.13939 174.1
[M+NH4]+ 295.18049 181.8
[M+K]+ 316.10983 166.2
[M+H-H2O]+ 260.14393 157.2
[M+HCOO]- 322.14487 187.1
[M+CH3COO]- 336.16052 177.2
[M+Na-2H]- 298.12134 168.2
[M]+ 277.14612 164.0
[M]- 277.14722 164.0
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