CID 129009786

Adcmc

Structural Information

Molecular Formula
C16H19N3O5
SMILES
CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)C)OC)N4)N
InChI
InChI=1S/C16H19N3O5/c1-6-11(17)14(22)10-8(5-24-7(2)20)16(23-3)15-9(18-15)4-19(16)12(10)13(6)21/h8-9,15,18H,4-5,17H2,1-3H3/t8-,9+,15+,16-/m1/s1
InChIKey
RBFIGNNUQCZRCZ-MEHNQHGESA-N
Compound name
[(4S,6S,7R,8S)-11-amino-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 acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.13248 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.13976 177.0
[M+Na]+ 356.12170 186.5
[M+NH4]+ 351.16630 184.4
[M+K]+ 372.09564 186.1
[M-H]- 332.12520 182.7
[M+Na-2H]- 354.10715 178.0
[M]+ 333.13193 180.8
[M]- 333.13303 180.8
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.