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]+ 225.10224 148.4
[M+Na]+ 247.08418 157.5
[M-H]- 223.08768 156.4
[M+NH4]+ 242.12878 166.9
[M+K]+ 263.05812 154.6
[M+H-H2O]+ 207.09222 141.3
[M+HCOO]- 269.09316 172.4
[M+CH3COO]- 283.10881 162.0
[M+Na-2H]- 245.06963 149.8
[M]+ 224.09441 149.3
[M]- 224.09551 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.