CID 209363

19789-70-9

Structural Information

Molecular Formula
C22H24N2O2
SMILES
CN(CCC(=O)N1CC2C3=CC=CC=C3CCC4=C2C(=CC=C4)C1)C=O
InChI
InChI=1S/C22H24N2O2/c1-23(15-25)12-11-21(26)24-13-18-7-4-6-17-10-9-16-5-2-3-8-19(16)20(14-24)22(17)18/h2-8,15,20H,9-14H2,1H3
InChIKey
RUPOWZTXTLSJHJ-UHFFFAOYSA-N
Compound name
N-[3-(16-azatetracyclo[8.7.1.02,7.014,18]octadeca-2,4,6,10(18),11,13-hexaen-16-yl)-3-oxopropyl]-N-methylformamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.18378 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.19106 182.6
[M+Na]+ 371.17300 186.9
[M-H]- 347.17650 188.2
[M+NH4]+ 366.21760 197.0
[M+K]+ 387.14694 186.2
[M+H-H2O]+ 331.18104 175.1
[M+HCOO]- 393.18198 197.5
[M+CH3COO]- 407.19763 191.4
[M+Na-2H]- 369.15845 186.8
[M]+ 348.18323 180.6
[M]- 348.18433 180.6
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.