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]+ 319.140076 177.0
[M+Na]+ 341.122018 189.1
[M-H]- 317.125524 181.2
[M+NH4]+ 336.166623 190.4
[M+K]+ 357.095958 181.7
[M+H-H2O]+ 301.130060 172.6
[M+HCOO]- 363.131001 193.2
[M+CH3COO]- 377.146651 218.5
[M+Na-2H]- 339.107466 174.5
[M]+ 318.13225142 181.4
[M]- 318.13334858 181.4
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.