CID 40748

Brn 0892815

Structural Information

Molecular Formula
C16H18N2O
SMILES
CC1C=CC2=NC3=C(CCCCC3)N4C2=C1C(=O)C4
InChI
InChI=1S/C16H18N2O/c1-10-7-8-12-16-15(10)14(19)9-18(16)13-6-4-2-3-5-11(13)17-12/h7-8,10H,2-6,9H2,1H3
InChIKey
WWBQXFSGNKUTKA-UHFFFAOYSA-N
Compound name
13-methyl-1,9-diazatetracyclo[8.6.1.02,8.014,17]heptadeca-2(8),9,11,14(17)-tetraen-15-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.1419 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.14918 156.9
[M+Na]+ 277.13112 167.9
[M+NH4]+ 272.17572 165.8
[M+K]+ 293.10506 163.4
[M-H]- 253.13462 158.8
[M+Na-2H]- 275.11657 159.6
[M]+ 254.14135 159.0
[M]- 254.14245 159.0
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.