CID 97153

Wd0jva0rsg

Structural Information

Molecular Formula
C27H31N3OPb
SMILES
CC(C)(C1=CN=NN1CCCC[Pb](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)O
InChI
InChI=1S/C9H16N3O.3C6H5.Pb/c1-4-5-6-12-8(7-10-11-12)9(2,3)13;3*1-2-4-6-5-3-1;/h7,13H,1,4-6H2,2-3H3;3*1-5H;
InChIKey
FCDISBYVWIBULA-UHFFFAOYSA-N
Compound name
2-[3-(4-triphenylplumbylbutyl)triazol-4-yl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

621.2234 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 622.23068 244.4
[M+Na]+ 644.21262 246.3
[M-H]- 620.21612 249.2
[M+NH4]+ 639.25722 247.6
[M+K]+ 660.18656 237.5
[M+H-H2O]+ 604.22066 229.9
[M+HCOO]- 666.22160 255.9
[M+CH3COO]- 680.23725 232.2
[M+Na-2H]- 642.19807 243.6
[M]+ 621.22285 243.3
[M]- 621.22395 243.3
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.