CID 20637899

N-desmethyl-n-cyclopentyl cis-ent-tadalafil

Structural Information

Molecular Formula
C26H25N3O4
SMILES
C1CCC(C1)N2CC(=O)N3[C@@H](C2=O)CC4=C([C@@H]3C5=CC6=C(C=C5)OCO6)NC7=CC=CC=C47
InChI
InChI=1S/C26H25N3O4/c30-23-13-28(16-5-1-2-6-16)26(31)20-12-18-17-7-3-4-8-19(17)27-24(18)25(29(20)23)15-9-10-21-22(11-15)33-14-32-21/h3-4,7-11,16,20,25,27H,1-2,5-6,12-14H2/t20-,25+/m1/s1
InChIKey
PWUCUSITNKSTMS-NLFFAJNJSA-N
Compound name
(2S,8R)-2-(1,3-benzodioxol-5-yl)-6-cyclopentyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

443.1845 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.19178 204.8
[M+Na]+ 466.17372 217.8
[M+NH4]+ 461.21832 212.6
[M+K]+ 482.14766 216.7
[M-H]- 442.17722 212.0
[M+Na-2H]- 464.15917 205.1
[M]+ 443.18395 208.6
[M]- 443.18505 208.6
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

patents stripe