CID 491834

Ethyl 5-(3-azidophenyl)-2-methyl-1-phenyl-pyrrole-3-carboxylate

Structural Information

Molecular Formula
C20H18N4O2
SMILES
CCOC(=O)C1=C(N(C(=C1)C2=CC(=CC=C2)N=[N+]=[N-])C3=CC=CC=C3)C
InChI
InChI=1S/C20H18N4O2/c1-3-26-20(25)18-13-19(15-8-7-9-16(12-15)22-23-21)24(14(18)2)17-10-5-4-6-11-17/h4-13H,3H2,1-2H3
InChIKey
HULUZGULTPSUIJ-UHFFFAOYSA-N
Compound name
ethyl 5-(3-azidophenyl)-2-methyl-1-phenylpyrrole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

346.14297 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.15025 183.6
[M+Na]+ 369.13219 189.9
[M-H]- 345.13569 195.1
[M+NH4]+ 364.17679 196.9
[M+K]+ 385.10613 180.8
[M+H-H2O]+ 329.14023 177.3
[M+HCOO]- 391.14117 212.7
[M+CH3COO]- 405.15682 216.3
[M+Na-2H]- 367.11764 188.6
[M]+ 346.14242 184.0
[M]- 346.14352 184.0
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.