CID 335813

72499-57-1

Structural Information

Molecular Formula
C16H12N2O
SMILES
C1=CC=C2C(=C1)C3=CC(=C(C=C3O2)N4C=CC=C4)N
InChI
InChI=1S/C16H12N2O/c17-13-9-12-11-5-1-2-6-15(11)19-16(12)10-14(13)18-7-3-4-8-18/h1-10H,17H2
InChIKey
HUTYLHPVBPJFHQ-UHFFFAOYSA-N
Compound name
3-pyrrol-1-yldibenzofuran-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

248.09496 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.10224 152.1
[M+Na]+ 271.08418 164.7
[M-H]- 247.08768 161.6
[M+NH4]+ 266.12878 172.4
[M+K]+ 287.05812 160.0
[M+H-H2O]+ 231.09222 145.5
[M+HCOO]- 293.09316 178.3
[M+CH3COO]- 307.10881 166.9
[M+Na-2H]- 269.06963 159.3
[M]+ 248.09441 156.3
[M]- 248.09551 156.3
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

patents stripe