CID 138039704

2377004-27-6

Structural Information

Molecular Formula
C16H21N3O3
SMILES
C[C@H]1CNC(=O)[C@@H](C/C=C/COC2=CC=CC=C2C(=O)N1)N
InChI
InChI=1S/C16H21N3O3/c1-11-10-18-16(21)13(17)7-4-5-9-22-14-8-3-2-6-12(14)15(20)19-11/h2-6,8,11,13H,7,9-10,17H2,1H3,(H,18,21)(H,19,20)/b5-4+/t11-,13+/m0/s1
InChIKey
KGXUISMISGYJSO-SOHMCZBRSA-N
Compound name
(4E,7R,11S)-7-amino-11-methyl-2-oxa-9,12-diazabicyclo[12.4.0]octadeca-1(18),4,14,16-tetraene-8,13-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.1583 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.16558 167.9
[M+Na]+ 326.14752 178.2
[M+NH4]+ 321.19212 172.4
[M+K]+ 342.12146 173.3
[M-H]- 302.15102 170.4
[M+Na-2H]- 324.13297 170.9
[M]+ 303.15775 169.4
[M]- 303.15885 169.4
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.