CID 362446

Nsc626393

Structural Information

Molecular Formula
C19H20N2O2
SMILES
CN1C2=CC=CC=C2C3=C1C4C(C5C3CCCC5)C(=O)NC4=O
InChI
InChI=1S/C19H20N2O2/c1-21-13-9-5-4-8-12(13)14-10-6-2-3-7-11(10)15-16(17(14)21)19(23)20-18(15)22/h4-5,8-11,15-16H,2-3,6-7H2,1H3,(H,20,22,23)
InChIKey
SKKYVSNEQAPJDQ-UHFFFAOYSA-N
Compound name
20-methyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.15247 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.15975 173.0
[M+Na]+ 331.14169 182.2
[M-H]- 307.14519 176.4
[M+NH4]+ 326.18629 192.4
[M+K]+ 347.11563 174.8
[M+H-H2O]+ 291.14973 165.9
[M+HCOO]- 353.15067 185.3
[M+CH3COO]- 367.16632 183.1
[M+Na-2H]- 329.12714 172.5
[M]+ 308.15192 170.1
[M]- 308.15302 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.