CID 91634

Azocyclotin

Structural Information

Molecular Formula
C20H35N3Sn
SMILES
C1CCC(CC1)[Sn](C2CCCCC2)(C3CCCCC3)N4C=NC=N4
InChI
InChI=1S/3C6H11.C2H2N3.Sn/c3*1-2-4-6-5-3-1;1-3-2-5-4-1;/h3*1H,2-6H2;1-2H;/q;;;-1;+1
InChIKey
ONHBDDJJTDTLIR-UHFFFAOYSA-N
Compound name
tricyclohexyl(1,2,4-triazol-1-yl)stannane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

5
References

12893
Patents

437.1853 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.19258 203.0
[M+Na]+ 460.17452 211.5
[M+NH4]+ 455.21912 210.7
[M+K]+ 476.14846 204.7
[M-H]- 436.17802 208.3
[M+Na-2H]- 458.15997 208.5
[M]+ 437.18475 205.4
[M]- 437.18585 205.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe