CID 3051725

3h-pyrazino(3,2,1-jk)carbazole-3-acetic acid, 1,2,7,8,9,10-hexahydro-2-oxo-, methyl ester

Structural Information

Molecular Formula
C17H18N2O3
SMILES
COC(=O)CN1C(=O)CN2C3=C(CCCC3)C4=C2C1=CC=C4
InChI
InChI=1S/C17H18N2O3/c1-22-16(21)10-18-14-8-4-6-12-11-5-2-3-7-13(11)19(17(12)14)9-15(18)20/h4,6,8H,2-3,5,7,9-10H2,1H3
InChIKey
ROFBDYSYIDEDLO-UHFFFAOYSA-N
Compound name
methyl 2-(3-oxo-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10(15)-tetraen-4-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.13174 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.139016 168.3
[M+Na]+ 321.120958 176.4
[M-H]- 297.124464 170.8
[M+NH4]+ 316.165563 185.8
[M+K]+ 337.094898 171.9
[M+H-H2O]+ 281.129000 160.0
[M+HCOO]- 343.129941 183.0
[M+CH3COO]- 357.145591 178.9
[M+Na-2H]- 319.106406 171.7
[M]+ 298.13119142 170.1
[M]- 298.13228858 170.1
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.