CID 374525

Nsc652276

Structural Information

Molecular Formula
C23H24N2O2
SMILES
C1CCN(C1)C23CCCC2C4(C(=O)C5=CC=CC=C5N4O3)C6=CC=CC=C6
InChI
InChI=1S/C23H24N2O2/c26-21-18-11-4-5-12-19(18)25-23(21,17-9-2-1-3-10-17)20-13-8-14-22(20,27-25)24-15-6-7-16-24/h1-5,9-12,20H,6-8,13-16H2
InChIKey
QXRMPRQQGNQQQF-UHFFFAOYSA-N
Compound name
9-phenyl-14-pyrrolidin-1-yl-15-oxa-1-azatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6-trien-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.18378 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.19106 185.0
[M+Na]+ 383.17300 192.6
[M-H]- 359.17650 196.0
[M+NH4]+ 378.21760 206.6
[M+K]+ 399.14694 187.7
[M+H-H2O]+ 343.18104 177.5
[M+HCOO]- 405.18198 200.2
[M+CH3COO]- 419.19763 195.5
[M+Na-2H]- 381.15845 181.0
[M]+ 360.18323 183.0
[M]- 360.18433 183.0
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

No patent data available for this compound.