CID 129009774

Brn 0865522

Structural Information

Molecular Formula
C18H22N4O7
SMILES
CCOC(=O)N1[C@@H]2[C@H]1[C@@]3([C@@H](C4=C(N3C2)C(=O)C(=C(C4=O)N)C)COC(=O)N)OC
InChI
InChI=1S/C18H22N4O7/c1-4-28-17(26)22-9-5-21-12-10(14(24)11(19)7(2)13(12)23)8(6-29-16(20)25)18(21,27-3)15(9)22/h8-9,15H,4-6,19H2,1-3H3,(H2,20,25)/t8-,9+,15+,18-,22?/m1/s1
InChIKey
OOVOKOKGEDWERS-YNOAKCNOSA-N
Compound name
ethyl (4S,6S,7R,8S)-11-amino-8-(carbamoyloxymethyl)-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-diene-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.14883 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.15611 191.7
[M+Na]+ 429.13805 199.0
[M+NH4]+ 424.18265 197.1
[M+K]+ 445.11199 200.4
[M-H]- 405.14155 196.7
[M+Na-2H]- 427.12350 191.1
[M]+ 406.14828 194.7
[M]- 406.14938 194.7
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.