CID 201293

5782-30-9

Structural Information

Molecular Formula
C18H19NO2
SMILES
COC1=CC=C(C=C1)C2CCN=C2C3=CC=C(C=C3)OC
InChI
InChI=1S/C18H19NO2/c1-20-15-7-3-13(4-8-15)17-11-12-19-18(17)14-5-9-16(21-2)10-6-14/h3-10,17H,11-12H2,1-2H3
InChIKey
CSXLDPNJPKGXFL-UHFFFAOYSA-N
Compound name
4,5-bis(4-methoxyphenyl)-3,4-dihydro-2H-pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.14157 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.14885 165.4
[M+Na]+ 304.13079 173.1
[M-H]- 280.13429 174.1
[M+NH4]+ 299.17539 181.6
[M+K]+ 320.10473 169.0
[M+H-H2O]+ 264.13883 156.4
[M+HCOO]- 326.13977 188.3
[M+CH3COO]- 340.15542 177.6
[M+Na-2H]- 302.11624 167.8
[M]+ 281.14102 167.1
[M]- 281.14212 167.1
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

patents stripe