CID 9820973

Nortadalafil

Structural Information

Molecular Formula
C21H17N3O4
SMILES
C1[C@@H]2C(=O)NCC(=O)N2[C@@H](C3=C1C4=CC=CC=C4N3)C5=CC6=C(C=C5)OCO6
InChI
InChI=1S/C21H17N3O4/c25-18-9-22-21(26)15-8-13-12-3-1-2-4-14(12)23-19(13)20(24(15)18)11-5-6-16-17(7-11)28-10-27-16/h1-7,15,20,23H,8-10H2,(H,22,26)/t15-,20-/m1/s1
InChIKey
XHDLVMPUSXRZOS-FOIQADDNSA-N
Compound name
(2R,8R)-2-(1,3-benzodioxol-5-yl)-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

2
References

87
Patents

375.12192 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.12920 188.0
[M+Na]+ 398.11114 202.0
[M+NH4]+ 393.15574 195.5
[M+K]+ 414.08508 199.4
[M-H]- 374.11464 193.2
[M+Na-2H]- 396.09659 188.5
[M]+ 375.12137 191.4
[M]- 375.12247 191.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe