CID 45496720

1989659-30-4

Structural Information

Molecular Formula
C15H20N2O2
SMILES
CC1=CC(=C(N1C2=CC(=C(C=C2)OC)OC)C)CN
InChI
InChI=1S/C15H20N2O2/c1-10-7-12(9-16)11(2)17(10)13-5-6-14(18-3)15(8-13)19-4/h5-8H,9,16H2,1-4H3
InChIKey
BXABVYUWNMBBIA-UHFFFAOYSA-N
Compound name
[1-(3,4-dimethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.15247 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.15975 160.5
[M+Na]+ 283.14169 170.2
[M-H]- 259.14519 166.6
[M+NH4]+ 278.18629 178.2
[M+K]+ 299.11563 166.8
[M+H-H2O]+ 243.14973 153.0
[M+HCOO]- 305.15067 184.8
[M+CH3COO]- 319.16632 201.8
[M+Na-2H]- 281.12714 161.4
[M]+ 260.15192 164.4
[M]- 260.15302 164.4
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.