CID 374526

Nsc652277

Structural Information

Molecular Formula
C24H26N2O2
SMILES
C1CCC2(C(C1)C3(C(=O)C4=CC=CC=C4N3O2)C5=CC=CC=C5)N6CCCC6
InChI
InChI=1S/C24H26N2O2/c27-22-19-12-4-5-13-20(19)26-24(22,18-10-2-1-3-11-18)21-14-6-7-15-23(21,28-26)25-16-8-9-17-25/h1-5,10-13,21H,6-9,14-17H2
InChIKey
RHTNTPVCOFBZJY-UHFFFAOYSA-N
Compound name
9-phenyl-15-pyrrolidin-1-yl-16-oxa-1-azatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6-trien-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.19943 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.20671 189.6
[M+Na]+ 397.18865 196.0
[M-H]- 373.19215 199.4
[M+NH4]+ 392.23325 208.7
[M+K]+ 413.16259 190.4
[M+H-H2O]+ 357.19669 180.0
[M+HCOO]- 419.19763 202.0
[M+CH3COO]- 433.21328 198.8
[M+Na-2H]- 395.17410 186.9
[M]+ 374.19888 185.2
[M]- 374.19998 185.2
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.