CID 208623

Brn 0848584

Structural Information

Molecular Formula
C15H18N4O4
SMILES
CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3C2COC(=O)N)N4C)N
InChI
InChI=1S/C15H18N4O4/c1-5-9(16)14(21)8-6(4-23-15(17)22)10-11-7(18(11)2)3-19(10)12(8)13(5)20/h6-7,10-11H,3-4,16H2,1-2H3,(H2,17,22)
InChIKey
BRJRDRMELJFMBS-UHFFFAOYSA-N
Compound name
(11-amino-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

318.1328 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.14008 171.1
[M+Na]+ 341.12202 180.4
[M+NH4]+ 336.16662 177.5
[M+K]+ 357.09596 182.0
[M-H]- 317.12552 177.7
[M+Na-2H]- 339.10747 171.0
[M]+ 318.13225 174.9
[M]- 318.13335 174.9
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.