CID 456967

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

Structural Information

Molecular Formula
C15H19ClN2
SMILES
CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)CN(C)C
InChI
InChI=1S/C15H19ClN2/c1-11-9-13(10-17(3)4)12(2)18(11)15-7-5-14(16)6-8-15/h5-9H,10H2,1-4H3
InChIKey
GRVCEYYPNKIIAY-UHFFFAOYSA-N
Compound name
1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-N,N-dimethylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.1237 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.13098 161.5
[M+Na]+ 285.11292 171.4
[M-H]- 261.11642 168.8
[M+NH4]+ 280.15752 180.7
[M+K]+ 301.08686 166.7
[M+H-H2O]+ 245.12096 154.3
[M+HCOO]- 307.12190 181.9
[M+CH3COO]- 321.13755 204.1
[M+Na-2H]- 283.09837 162.7
[M]+ 262.12315 166.4
[M]- 262.12425 166.4
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.