CID 3087307

Fce 25068

Structural Information

Molecular Formula
C19H20N4O3
SMILES
C[N+]1(C[C@@H](C2=CC3=C4C(=CNC4=CC=C3)C[C@H]21)CN5CC(=O)NC5=O)[O-]
InChI
InChI=1S/C19H20N4O3/c1-23(26)10-13(8-22-9-17(24)21-19(22)25)14-5-11-3-2-4-15-18(11)12(7-20-15)6-16(14)23/h2-5,7,13,16,20H,6,8-10H2,1H3,(H,21,24,25)/t13-,16+,23?/m0/s1
InChIKey
JLHBAWJYPHWGCU-RPYGVECJSA-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]imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.15353 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.16081 182.6
[M+Na]+ 375.14275 192.5
[M+NH4]+ 370.18735 189.8
[M+K]+ 391.11669 193.2
[M-H]- 351.14625 183.3
[M+Na-2H]- 373.12820 183.6
[M]+ 352.15298 184.1
[M]- 352.15408 184.1
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.