CID 3025247

Pyrrole, 1-(3-(dimethylamino)propyl)-2-methyl-5-phenyl-

Structural Information

Molecular Formula
C16H22N2
SMILES
CC1=CC=C(N1CCCN(C)C)C2=CC=CC=C2
InChI
InChI=1S/C16H22N2/c1-14-10-11-16(15-8-5-4-6-9-15)18(14)13-7-12-17(2)3/h4-6,8-11H,7,12-13H2,1-3H3
InChIKey
URQXMMCZFBGELG-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-(2-methyl-5-phenylpyrrol-1-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.1783 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.185576 158.7
[M+Na]+ 265.167518 165.6
[M-H]- 241.171024 165.4
[M+NH4]+ 260.212123 177.3
[M+K]+ 281.141458 162.5
[M+H-H2O]+ 225.175560 150.3
[M+HCOO]- 287.176501 183.5
[M+CH3COO]- 301.192151 201.1
[M+Na-2H]- 263.152966 161.4
[M]+ 242.17775142 161.1
[M]- 242.17884858 161.1
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.