CID 214750

Brn 0405778

Structural Information

Molecular Formula
C15H14N2O
SMILES
C1CC2=C(C=CC=N2)C(C3=CC=CC=C31)NC=O
InChI
InChI=1S/C15H14N2O/c18-10-17-15-12-5-2-1-4-11(12)7-8-14-13(15)6-3-9-16-14/h1-6,9-10,15H,7-8H2,(H,17,18)
InChIKey
FVCPVDDRZIONBY-UHFFFAOYSA-N
Compound name
N-(7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-yl)formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.11061 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.11789 150.8
[M+Na]+ 261.09983 157.8
[M-H]- 237.10333 156.1
[M+NH4]+ 256.14443 168.0
[M+K]+ 277.07377 157.2
[M+H-H2O]+ 221.10787 144.5
[M+HCOO]- 283.10881 171.3
[M+CH3COO]- 297.12446 162.6
[M+Na-2H]- 259.08528 159.8
[M]+ 238.11006 147.4
[M]- 238.11116 147.4
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.