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 159.1
[M+Na]+ 277.13112 166.8
[M-H]- 253.13462 163.3
[M+NH4]+ 272.17572 177.9
[M+K]+ 293.10506 164.1
[M+H-H2O]+ 237.13916 152.2
[M+HCOO]- 299.14010 173.4
[M+CH3COO]- 313.15575 169.9
[M+Na-2H]- 275.11657 162.7
[M]+ 254.14135 155.0
[M]- 254.14245 155.0
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.