CID 30797

Ag 274

Structural Information

Molecular Formula
C17H21N3O2
SMILES
C1COCCN1CCN2C(=O)C3CC3C(=N2)C4=CC=CC=C4
InChI
InChI=1S/C17H21N3O2/c21-17-15-12-14(15)16(13-4-2-1-3-5-13)18-20(17)7-6-19-8-10-22-11-9-19/h1-5,14-15H,6-12H2
InChIKey
YUQWDYVWUBNGBG-UHFFFAOYSA-N
Compound name
3-(2-morpholin-4-ylethyl)-5-phenyl-3,4-diazabicyclo[4.1.0]hept-4-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.1634 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.170676 181.7
[M+Na]+ 322.152618 189.2
[M-H]- 298.156124 187.8
[M+NH4]+ 317.197223 187.2
[M+K]+ 338.126558 184.6
[M+H-H2O]+ 282.160660 170.2
[M+HCOO]- 344.161601 195.0
[M+CH3COO]- 358.177251 190.0
[M+Na-2H]- 320.138066 184.4
[M]+ 299.16285142 180.7
[M]- 299.16394858 180.7
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

No patent data available for this compound.