CID 36699

34144-64-4

Structural Information

Molecular Formula
C16H16N2O
SMILES
CNC(=O)C1C2=C(CCC3=CC=CC=C13)N=CC=C2
InChI
InChI=1S/C16H16N2O/c1-17-16(19)15-12-6-3-2-5-11(12)8-9-14-13(15)7-4-10-18-14/h2-7,10,15H,8-9H2,1H3,(H,17,19)
InChIKey
ZMZPGCLLNOGDTA-UHFFFAOYSA-N
Compound name
N-methyl-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.12627 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.13355 155.2
[M+Na]+ 275.11549 161.6
[M-H]- 251.11899 160.5
[M+NH4]+ 270.16009 172.0
[M+K]+ 291.08943 161.4
[M+H-H2O]+ 235.12353 148.9
[M+HCOO]- 297.12447 174.5
[M+CH3COO]- 311.14012 166.5
[M+Na-2H]- 273.10094 162.6
[M]+ 252.12572 151.5
[M]- 252.12682 151.5
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.