CID 512941

4-amino-1-(2-hydroxyethoxymethyl)-2,5-diphenyl-pyrrole-3-carbonitrile

Structural Information

Molecular Formula
C20H19N3O2
SMILES
C1=CC=C(C=C1)C2=C(C(=C(N2COCCO)C3=CC=CC=C3)N)C#N
InChI
InChI=1S/C20H19N3O2/c21-13-17-18(22)20(16-9-5-2-6-10-16)23(14-25-12-11-24)19(17)15-7-3-1-4-8-15/h1-10,24H,11-12,14,22H2
InChIKey
FUWADDCZPJQKQF-UHFFFAOYSA-N
Compound name
4-amino-1-(2-hydroxyethoxymethyl)-2,5-diphenylpyrrole-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

333.14774 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.15502 183.2
[M+Na]+ 356.13696 192.7
[M-H]- 332.14046 187.9
[M+NH4]+ 351.18156 194.3
[M+K]+ 372.11090 184.7
[M+H-H2O]+ 316.14500 167.2
[M+HCOO]- 378.14594 201.5
[M+CH3COO]- 392.16159 191.7
[M+Na-2H]- 354.12241 183.2
[M]+ 333.14719 178.1
[M]- 333.14829 178.1
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.