CID 9570529

Brn 1480713

Structural Information

Molecular Formula
C17H14N2O2
SMILES
CCC(=O)O/N=C/1\C2=C(C=CC3=CC=CC=C31)N=CC=C2
InChI
InChI=1S/C17H14N2O2/c1-2-16(20)21-19-17-13-7-4-3-6-12(13)9-10-15-14(17)8-5-11-18-15/h3-11H,2H2,1H3/b19-17-
InChIKey
UICOOKZXYYXDSZ-ZPHPHTNESA-N
Compound name
[(Z)-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-ylideneamino] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.10553 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.11281 160.7
[M+Na]+ 301.09475 174.1
[M+NH4]+ 296.13935 168.5
[M+K]+ 317.06869 167.3
[M-H]- 277.09825 164.2
[M+Na-2H]- 299.08020 168.6
[M]+ 278.10498 163.7
[M]- 278.10608 163.7
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.