CID 456968

1h-pyrrole-3-methanamine, 1-(2,4-dichlorophenyl)-n,n,2,5-tetramethyl-

Structural Information

Molecular Formula
C15H18Cl2N2
SMILES
CC1=CC(=C(N1C2=C(C=C(C=C2)Cl)Cl)C)CN(C)C
InChI
InChI=1S/C15H18Cl2N2/c1-10-7-12(9-18(3)4)11(2)19(10)15-6-5-13(16)8-14(15)17/h5-8H,9H2,1-4H3
InChIKey
FZMOKHNAQVMTJU-UHFFFAOYSA-N
Compound name
1-[1-(2,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]-N,N-dimethylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.08472 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.09200 168.7
[M+Na]+ 319.07394 179.8
[M-H]- 295.07744 175.4
[M+NH4]+ 314.11854 187.2
[M+K]+ 335.04788 173.7
[M+H-H2O]+ 279.08198 162.1
[M+HCOO]- 341.08292 183.7
[M+CH3COO]- 355.09857 209.5
[M+Na-2H]- 317.05939 168.3
[M]+ 296.08417 175.0
[M]- 296.08527 175.0
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.