CID 10777789

Chembl1765359

Structural Information

Molecular Formula
C14H12N2O
SMILES
C/C(=C/1\C=CC=N1)/C2=CC=C(O2)C3=CC=CN3
InChI
InChI=1S/C14H12N2O/c1-10(11-4-2-8-15-11)13-6-7-14(17-13)12-5-3-9-16-12/h2-9,16H,1H3/b11-10-
InChIKey
AGXIYZGZCBPIKG-KHPPLWFESA-N
Compound name
(2Z)-2-[1-[5-(1H-pyrrol-2-yl)furan-2-yl]ethylidene]pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

224.09496 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.102236 148.4
[M+Na]+ 247.084178 157.5
[M-H]- 223.087684 156.4
[M+NH4]+ 242.128783 166.9
[M+K]+ 263.058118 154.6
[M+H-H2O]+ 207.092220 141.3
[M+HCOO]- 269.093161 172.4
[M+CH3COO]- 283.108811 162.0
[M+Na-2H]- 245.069626 149.8
[M]+ 224.09441142 149.3
[M]- 224.09550858 149.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.