CID 3040349

K 8152

Structural Information

Molecular Formula
C23H26N2O2
SMILES
C1CCN(CC1)CC2=C(OC3=C(C2=O)C4=CC=CC=C4C=C3)N5CCCC5
InChI
InChI=1S/C23H26N2O2/c26-22-19(16-24-12-4-1-5-13-24)23(25-14-6-7-15-25)27-20-11-10-17-8-2-3-9-18(17)21(20)22/h2-3,8-11H,1,4-7,12-16H2
InChIKey
YWLASKAMSFDLBJ-UHFFFAOYSA-N
Compound name
2-(piperidin-1-ylmethyl)-3-pyrrolidin-1-ylbenzo[f]chromen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.19943 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.20671 187.3
[M+Na]+ 385.18865 193.5
[M-H]- 361.19215 195.6
[M+NH4]+ 380.23325 198.7
[M+K]+ 401.16259 187.6
[M+H-H2O]+ 345.19669 176.0
[M+HCOO]- 407.19763 201.0
[M+CH3COO]- 421.21328 196.2
[M+Na-2H]- 383.17410 188.6
[M]+ 362.19888 184.1
[M]- 362.19998 184.1
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.