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 169.4
[M+Na]+ 304.19100 172.9
[M-H]- 280.19450 178.1
[M+NH4]+ 299.23560 186.8
[M+K]+ 320.16494 163.3
[M+H-H2O]+ 264.19904 162.2
[M+HCOO]- 326.19998 191.0
[M+CH3COO]- 340.21563 197.4
[M+Na-2H]- 302.17645 175.1
[M]+ 281.20123 165.1
[M]- 281.20233 165.1
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.