CID 3003946

Nsc 338958

Structural Information

Molecular Formula
C20H23N3O2
SMILES
C[C@H]1C2(C(=C(C13[C@@]2(N4C(=O)N(C(=O)N4C3)C5=CC=CC=C5)C)C)C)C
InChI
InChI=1S/C20H23N3O2/c1-12-13(2)20-11-21-16(24)22(15-9-7-6-8-10-15)17(25)23(21)19(20,5)18(12,4)14(20)3/h6-10,14H,11H2,1-5H3/t14-,18?,19+,20?/m0/s1
InChIKey
YFMBMZXUSHHABR-UYSIFVEPSA-N
Compound name
(8R,12S)-8,9,10,11,12-pentamethyl-5-phenyl-3,5,7-triazatetracyclo[7.2.1.01,8.03,7]dodec-10-ene-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.17902 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.18630 179.3
[M+Na]+ 360.16824 191.9
[M-H]- 336.17174 186.8
[M+NH4]+ 355.21284 201.1
[M+K]+ 376.14218 188.3
[M+H-H2O]+ 320.17628 171.8
[M+HCOO]- 382.17722 195.9
[M+CH3COO]- 396.19287 191.7
[M+Na-2H]- 358.15369 179.4
[M]+ 337.17847 198.5
[M]- 337.17957 198.5
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.