CID 491845

1-[1-(3-azidophenyl)-2-methyl-5-phenyl-pyrrol-3-yl]ethanone

Structural Information

Molecular Formula
C19H16N4O
SMILES
CC1=C(C=C(N1C2=CC=CC(=C2)N=[N+]=[N-])C3=CC=CC=C3)C(=O)C
InChI
InChI=1S/C19H16N4O/c1-13-18(14(2)24)12-19(15-7-4-3-5-8-15)23(13)17-10-6-9-16(11-17)21-22-20/h3-12H,1-2H3
InChIKey
VRFPHDSGJKYSKO-UHFFFAOYSA-N
Compound name
1-[1-(3-azidophenyl)-2-methyl-5-phenylpyrrol-3-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

316.13242 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.13970 175.4
[M+Na]+ 339.12164 182.4
[M-H]- 315.12514 187.0
[M+NH4]+ 334.16624 189.9
[M+K]+ 355.09558 172.8
[M+H-H2O]+ 299.12968 169.5
[M+HCOO]- 361.13062 204.7
[M+CH3COO]- 375.14627 211.9
[M+Na-2H]- 337.10709 180.7
[M]+ 316.13187 174.2
[M]- 316.13297 174.2
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.