CID 491839

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

Structural Information

Molecular Formula
C21H20N4O3
SMILES
CCOC(=O)C1=C(N(C(=C1)C2=CC(=CC=C2)OC)C3=CC=CC(=C3)N=[N+]=[N-])C
InChI
InChI=1S/C21H20N4O3/c1-4-28-21(26)19-13-20(15-7-5-10-18(11-15)27-3)25(14(19)2)17-9-6-8-16(12-17)23-24-22/h5-13H,4H2,1-3H3
InChIKey
TVYYXZLMRCZPQU-UHFFFAOYSA-N
Compound name
ethyl 1-(3-azidophenyl)-5-(3-methoxyphenyl)-2-methylpyrrole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

376.15353 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.160806 191.6
[M+Na]+ 399.142748 198.1
[M-H]- 375.146254 203.3
[M+NH4]+ 394.187353 203.8
[M+K]+ 415.116688 189.4
[M+H-H2O]+ 359.150790 185.2
[M+HCOO]- 421.151731 220.5
[M+CH3COO]- 435.167381 222.5
[M+Na-2H]- 397.128196 195.6
[M]+ 376.15298142 194.0
[M]- 376.15407858 194.0
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.