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 177.0
[M+Na]+ 341.12202 189.1
[M-H]- 317.12552 181.2
[M+NH4]+ 336.16662 190.4
[M+K]+ 357.09596 181.7
[M+H-H2O]+ 301.13006 172.6
[M+HCOO]- 363.13100 193.2
[M+CH3COO]- 377.14665 218.5
[M+Na-2H]- 339.10747 174.5
[M]+ 318.13225 181.4
[M]- 318.13335 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.