CID 493175

3,12-bis(chloromethyl)-3,12-diaza-6,9-diazoniadispiro[5.2.5^{9}.2^{6}]hexadecane

Structural Information

Molecular Formula
C14H28Cl2N4
SMILES
C1C[N+]2(CCN1CCl)CC[N+]3(CCN(CC3)CCl)CC2
InChI
InChI=1S/C14H28Cl2N4/c15-13-17-1-5-19(6-2-17)9-11-20(12-10-19)7-3-18(14-16)4-8-20/h1-14H2/q+2
InChIKey
YVAOFDXCTVFBMI-UHFFFAOYSA-N
Compound name
3,12-bis(chloromethyl)-3,12-diaza-6,9-diazoniadispiro[5.2.59.26]hexadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

322.1691 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.17638 172.1
[M+Na]+ 345.15832 174.2
[M-H]- 321.16182 170.6
[M+NH4]+ 340.20292 184.9
[M+K]+ 361.13226 158.8
[M+H-H2O]+ 305.16636 165.8
[M+HCOO]- 367.16730 168.7
[M+CH3COO]- 381.18295 189.7
[M+Na-2H]- 343.14377 178.1
[M]+ 322.16855 159.5
[M]- 322.16965 159.5
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

No patent data available for this compound.