CID 274560

Nsc120650

Structural Information

Molecular Formula
C19H18N2O2
SMILES
CCCCC1C(=O)N2C3=CC=CC=C3C4=CC=CC=C4N2C1=O
InChI
InChI=1S/C19H18N2O2/c1-2-3-8-15-18(22)20-16-11-6-4-9-13(16)14-10-5-7-12-17(14)21(20)19(15)23/h4-7,9-12,15H,2-3,8H2,1H3
InChIKey
VLJWATVEPCEBEN-UHFFFAOYSA-N
Compound name
4-butyl-2,6-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),7,9,11,13,15-hexaene-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.13684 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.14412 173.2
[M+Na]+ 329.12606 183.0
[M-H]- 305.12956 176.8
[M+NH4]+ 324.17066 190.6
[M+K]+ 345.10000 176.5
[M+H-H2O]+ 289.13410 164.5
[M+HCOO]- 351.13504 189.4
[M+CH3COO]- 365.15069 184.1
[M+Na-2H]- 327.11151 176.3
[M]+ 306.13629 174.8
[M]- 306.13739 174.8
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.