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]+ 253.133546 155.2
[M+Na]+ 275.115488 161.6
[M-H]- 251.118994 160.5
[M+NH4]+ 270.160093 172.0
[M+K]+ 291.089428 161.4
[M+H-H2O]+ 235.123530 148.9
[M+HCOO]- 297.124471 174.5
[M+CH3COO]- 311.140121 166.5
[M+Na-2H]- 273.100936 162.6
[M]+ 252.12572142 151.5
[M]- 252.12681858 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.