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 187.1
[M+Na]+ 386.13226 198.2
[M-H]- 362.13576 189.9
[M+NH4]+ 381.17686 200.0
[M+K]+ 402.10620 192.0
[M+H-H2O]+ 346.14030 183.5
[M+HCOO]- 408.14124 200.6
[M+CH3COO]- 422.15689 220.0
[M+Na-2H]- 384.11771 186.0
[M]+ 363.14249 194.9
[M]- 363.14359 194.9
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.