CID 456966

1h-pyrrole-3-methanamine, n,n,2,5-tetramethyl-1-phenyl-

Structural Information

Molecular Formula
C15H20N2
SMILES
CC1=CC(=C(N1C2=CC=CC=C2)C)CN(C)C
InChI
InChI=1S/C15H20N2/c1-12-10-14(11-16(3)4)13(2)17(12)15-8-6-5-7-9-15/h5-10H,11H2,1-4H3
InChIKey
PJVDAMDKXBEUFX-UHFFFAOYSA-N
Compound name
1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-N,N-dimethylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.16264 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.16992 153.6
[M+Na]+ 251.15186 161.9
[M-H]- 227.15536 161.0
[M+NH4]+ 246.19646 173.2
[M+K]+ 267.12580 159.1
[M+H-H2O]+ 211.15990 145.8
[M+HCOO]- 273.16084 178.8
[M+CH3COO]- 287.17649 199.3
[M+Na-2H]- 249.13731 156.2
[M]+ 228.16209 156.2
[M]- 228.16319 156.2
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.