CID 109374252

Brn 5643403

Structural Information

Molecular Formula
C17H21N3O6
SMILES
CCOC1=C(C(=O)C2=C(C1=O)[C@H]([C@@]3(N2C[C@H]4[C@@H]3N4)OC)COC(=O)N)C
InChI
InChI=1S/C17H21N3O6/c1-4-25-14-7(2)12(21)11-10(13(14)22)8(6-26-16(18)23)17(24-3)15-9(19-15)5-20(11)17/h8-9,15,19H,4-6H2,1-3H3,(H2,18,23)/t8-,9+,15+,17-/m1/s1
InChIKey
DPRCKLSGSHYRQU-CJUKMMNNSA-N
Compound name
[(4S,6S,7R,8S)-11-ethoxy-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.14304 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.15032 183.9
[M+Na]+ 386.13226 192.8
[M+NH4]+ 381.17686 190.6
[M+K]+ 402.10620 192.6
[M-H]- 362.13576 189.1
[M+Na-2H]- 384.11771 184.3
[M]+ 363.14249 187.4
[M]- 363.14359 187.4
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.