CID 3087306

Fce 24378

Structural Information

Molecular Formula
C19H20N4O2
SMILES
CN1C[C@@H](C2=CC3=C4C(=CNC4=CC=C3)C[C@H]21)CN5CC(=O)NC5=O
InChI
InChI=1S/C19H20N4O2/c1-22-8-13(9-23-10-17(24)21-19(23)25)14-5-11-3-2-4-15-18(11)12(7-20-15)6-16(14)22/h2-5,7,13,16,20H,6,8-10H2,1H3,(H,21,24,25)/t13-,16-/m1/s1
InChIKey
STJDEMADQFGYKM-CZUORRHYSA-N
Compound name
1-[[(4R,7R)-6-methyl-6,11-diazatetracyclo[7.6.1.03,7.012,16]hexadeca-1(16),2,9,12,14-pentaen-4-yl]methyl]imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.15863 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.16591 183.6
[M+Na]+ 359.14785 192.9
[M-H]- 335.15135 188.2
[M+NH4]+ 354.19245 198.9
[M+K]+ 375.12179 187.8
[M+H-H2O]+ 319.15589 175.3
[M+HCOO]- 381.15683 196.2
[M+CH3COO]- 395.17248 192.7
[M+Na-2H]- 357.13330 180.2
[M]+ 336.15808 180.6
[M]- 336.15918 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.