CID 493179

4,14-bis(oxiran-2-ylmethyl)-4,14-diaza-7,10-diazoniadispiro[6.2.6^{10}.2^{7}]octadecane

Structural Information

Molecular Formula
C20H38N4O2
SMILES
C1CN(CC[N+]2(C1)CC[N+]3(CCCN(CC3)CC4CO4)CC2)CC5CO5
InChI
InChI=1S/C20H38N4O2/c1-3-21(15-19-17-25-19)5-9-23(7-1)11-13-24(14-12-23)8-2-4-22(6-10-24)16-20-18-26-20/h19-20H,1-18H2/q+2
InChIKey
NHOJWVBETLRDJS-UHFFFAOYSA-N
Compound name
4,14-bis(oxiran-2-ylmethyl)-4,14-diaza-7,10-diazoniadispiro[6.2.610.27]octadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

366.29947 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.30675 174.6
[M+Na]+ 389.28869 175.4
[M-H]- 365.29219 181.1
[M+NH4]+ 384.33329 173.0
[M+K]+ 405.26263 171.4
[M+H-H2O]+ 349.29673 166.7
[M+HCOO]- 411.29767 177.2
[M+CH3COO]- 425.31332 216.5
[M+Na-2H]- 387.27414 177.1
[M]+ 366.29892 164.4
[M]- 366.30002 164.4
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

No patent data available for this compound.