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]+ 243.18558 158.7
[M+Na]+ 265.16752 165.6
[M-H]- 241.17102 165.4
[M+NH4]+ 260.21212 177.3
[M+K]+ 281.14146 162.5
[M+H-H2O]+ 225.17556 150.3
[M+HCOO]- 287.17650 183.5
[M+CH3COO]- 301.19215 201.1
[M+Na-2H]- 263.15297 161.4
[M]+ 242.17775 161.1
[M]- 242.17885 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.