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 164.6
[M+Na]+ 307.10532 174.1
[M-H]- 283.10882 168.2
[M+NH4]+ 302.14992 184.8
[M+K]+ 323.07926 170.0
[M+H-H2O]+ 267.11336 157.8
[M+HCOO]- 329.11430 182.1
[M+CH3COO]- 343.12995 176.5
[M+Na-2H]- 305.09077 166.7
[M]+ 284.11555 168.5
[M]- 284.11665 168.5
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.