CID 3051747

Brn 0840878

Structural Information

Molecular Formula
C16H16N2O3
SMILES
COC(=O)CN1C(=O)CN2C3=C(CCC3)C4=C2C1=CC=C4
InChI
InChI=1S/C16H16N2O3/c1-21-15(20)9-17-13-7-3-5-11-10-4-2-6-12(10)18(16(11)13)8-14(17)19/h3,5,7H,2,4,6,8-9H2,1H3
InChIKey
WAKBBLVSGZVSJH-UHFFFAOYSA-N
Compound name
methyl 2-(3-oxo-1,4-diazatetracyclo[7.5.1.05,15.010,14]pentadeca-5,7,9(15),10(14)-tetraen-4-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.1161 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.12338 163.7
[M+Na]+ 307.10532 175.5
[M+NH4]+ 302.14992 171.9
[M+K]+ 323.07926 172.9
[M-H]- 283.10882 164.1
[M+Na-2H]- 305.09077 165.1
[M]+ 284.11555 165.3
[M]- 284.11665 165.3
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.