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 161.2
[M+Na]+ 301.09475 169.7
[M-H]- 277.09825 168.4
[M+NH4]+ 296.13935 177.7
[M+K]+ 317.06869 170.1
[M+H-H2O]+ 261.10279 154.5
[M+HCOO]- 323.10373 184.6
[M+CH3COO]- 337.11938 173.6
[M+Na-2H]- 299.08020 170.3
[M]+ 278.10498 162.8
[M]- 278.10608 162.8
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.