CID 3087305

Fce 24778

Structural Information

Molecular Formula
C20H22N4O3
SMILES
C[N+]1(C[C@@H](C2=CC3=C4C(=CNC4=CC=C3)C[C@H]21)CN5CCC(=O)NC5=O)[O-]
InChI
InChI=1S/C20H22N4O3/c1-24(27)11-14(10-23-6-5-18(25)22-20(23)26)15-7-12-3-2-4-16-19(12)13(9-21-16)8-17(15)24/h2-4,7,9,14,17,21H,5-6,8,10-11H2,1H3,(H,22,25,26)/t14-,17+,24?/m0/s1
InChIKey
JDWJMNBZKJZIQF-ZFHMZADWSA-N
Compound name
1-[[(4S,7R)-6-methyl-6-oxido-11-aza-6-azoniatetracyclo[7.6.1.03,7.012,16]hexadeca-1(16),2,9,12,14-pentaen-4-yl]methyl]-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.1692 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.17648 188.0
[M+Na]+ 389.15842 198.7
[M+NH4]+ 384.20302 195.2
[M+K]+ 405.13236 197.0
[M-H]- 365.16192 189.2
[M+Na-2H]- 387.14387 189.3
[M]+ 366.16865 189.8
[M]- 366.16975 189.8
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.