CID 456951

N,n-dimethyl-1-(2-methyl-1,5-diphenyl-pyrrol-3-yl)methanamine

Structural Information

Molecular Formula
C20H22N2
SMILES
CC1=C(C=C(N1C2=CC=CC=C2)C3=CC=CC=C3)CN(C)C
InChI
InChI=1S/C20H22N2/c1-16-18(15-21(2)3)14-20(17-10-6-4-7-11-17)22(16)19-12-8-5-9-13-19/h4-14H,15H2,1-3H3
InChIKey
KETBPSDLYDJHFV-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1-(2-methyl-1,5-diphenylpyrrol-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.17828 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.18556 170.5
[M+Na]+ 313.16750 177.8
[M-H]- 289.17100 180.6
[M+NH4]+ 308.21210 186.8
[M+K]+ 329.14144 173.1
[M+H-H2O]+ 273.17554 161.0
[M+HCOO]- 335.17648 195.2
[M+CH3COO]- 349.19213 182.7
[M+Na-2H]- 311.15295 172.6
[M]+ 290.17773 172.1
[M]- 290.17883 172.1
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.