CID 200917

1-(2-(diphenylamino)ethyl)-1-methyl-pyrrolidinium bromide hydrate

Structural Information

Molecular Formula
C19H25N2
SMILES
C[N+]1(CCCC1)CCN(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C19H25N2/c1-21(15-8-9-16-21)17-14-20(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-7,10-13H,8-9,14-17H2,1H3/q+1
InChIKey
XZQIGJZMOQLQMT-UHFFFAOYSA-N
Compound name
N-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]-N-phenylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.20178 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.20906 168.3
[M+Na]+ 304.19100 183.4
[M+NH4]+ 299.23560 180.7
[M+K]+ 320.16494 174.4
[M-H]- 280.19450 177.3
[M+Na-2H]- 302.17645 181.3
[M]+ 281.20123 173.7
[M]- 281.20233 173.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.