CID 56253

91481-26-4

Structural Information

Molecular Formula
C14H16N2O3
SMILES
CC1=C(C(=C(N1)C2=CC(=C(C=C2)O)OC)N)C(=O)C
InChI
InChI=1S/C14H16N2O3/c1-7-12(8(2)17)13(15)14(16-7)9-4-5-10(18)11(6-9)19-3/h4-6,16,18H,15H2,1-3H3
InChIKey
YBZZPSNRONVWFG-UHFFFAOYSA-N
Compound name
1-[4-amino-5-(4-hydroxy-3-methoxyphenyl)-2-methyl-1H-pyrrol-3-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.1161 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.123376 159.0
[M+Na]+ 283.105318 168.1
[M-H]- 259.108824 162.7
[M+NH4]+ 278.149923 175.1
[M+K]+ 299.079258 163.9
[M+H-H2O]+ 243.113360 152.3
[M+HCOO]- 305.114301 180.0
[M+CH3COO]- 319.129951 196.4
[M+Na-2H]- 281.090766 158.4
[M]+ 260.11555142 159.0
[M]- 260.11664858 159.0
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.