CID 3050934

Brn 2281358

Structural Information

Molecular Formula
C17H17NO
SMILES
CC1(C2=CC=CC=C2CCC3=CC=CC=C31)C(=O)N
InChI
InChI=1S/C17H17NO/c1-17(16(18)19)14-8-4-2-6-12(14)10-11-13-7-3-5-9-15(13)17/h2-9H,10-11H2,1H3,(H2,18,19)
InChIKey
ROGVKGSLYMLINQ-UHFFFAOYSA-N
Compound name
2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.13101 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.13829 156.8
[M+Na]+ 274.12023 163.6
[M-H]- 250.12373 163.1
[M+NH4]+ 269.16483 176.5
[M+K]+ 290.09417 162.7
[M+H-H2O]+ 234.12827 151.9
[M+HCOO]- 296.12921 176.3
[M+CH3COO]- 310.14486 168.5
[M+Na-2H]- 272.10568 163.4
[M]+ 251.13046 152.3
[M]- 251.13156 152.3
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.