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]+ 261.159746 160.5
[M+Na]+ 283.141688 170.2
[M-H]- 259.145194 166.6
[M+NH4]+ 278.186293 178.2
[M+K]+ 299.115628 166.8
[M+H-H2O]+ 243.149730 153.0
[M+HCOO]- 305.150671 184.8
[M+CH3COO]- 319.166321 201.8
[M+Na-2H]- 281.127136 161.4
[M]+ 260.15192142 164.4
[M]- 260.15301858 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.