CID 208624

Brn 0849738

Structural Information

Molecular Formula
C16H19N3O5
SMILES
CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3C2COC(=O)N)N4C)OC
InChI
InChI=1S/C16H19N3O5/c1-6-13(20)12-9(14(21)15(6)23-3)7(5-24-16(17)22)10-11-8(18(11)2)4-19(10)12/h7-8,10-11H,4-5H2,1-3H3,(H2,17,22)
InChIKey
JLFQDMRSLOGEKF-UHFFFAOYSA-N
Compound name
(11-methoxy-5,12-dimethyl-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

333.13248 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.13976 182.5
[M+Na]+ 356.12170 194.7
[M-H]- 332.12520 187.0
[M+NH4]+ 351.16630 195.8
[M+K]+ 372.09564 188.0
[M+H-H2O]+ 316.12974 178.0
[M+HCOO]- 378.13068 198.0
[M+CH3COO]- 392.14633 218.8
[M+Na-2H]- 354.10715 179.8
[M]+ 333.13193 190.0
[M]- 333.13303 190.0
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.