CID 4999017

N,n-diethyl-4-(triphenylplumbyl)aniline

Structural Information

Molecular Formula
C28H29NPb
SMILES
CCN(CC)C1=CC=C(C=C1)[Pb](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C10H14N.3C6H5.Pb/c1-3-11(4-2)10-8-6-5-7-9-10;3*1-2-4-6-5-3-1;/h6-9H,3-4H2,1-2H3;3*1-5H;
InChIKey
DAUSYACCYYEMII-UHFFFAOYSA-N
Compound name
N,N-diethyl-4-triphenylplumbylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

587.20667 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 588.21395 236.4
[M+Na]+ 610.19589 237.7
[M-H]- 586.19939 246.8
[M+NH4]+ 605.24049 244.0
[M+K]+ 626.16983 230.0
[M+H-H2O]+ 570.20393 222.4
[M+HCOO]- 632.20487 255.2
[M+CH3COO]- 646.22052 242.0
[M+Na-2H]- 608.18134 236.5
[M]+ 587.20612 234.8
[M]- 587.20722 234.8
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

patents stripe