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]+ 377.16081 191.6
[M+Na]+ 399.14275 198.1
[M-H]- 375.14625 203.3
[M+NH4]+ 394.18735 203.8
[M+K]+ 415.11669 189.4
[M+H-H2O]+ 359.15079 185.2
[M+HCOO]- 421.15173 220.5
[M+CH3COO]- 435.16738 222.5
[M+Na-2H]- 397.12820 195.6
[M]+ 376.15298 194.0
[M]- 376.15408 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.