CID 3064928

Brn 5626485

Structural Information

Molecular Formula
C22H46N6O4
SMILES
CC1(N(N1CN2CCOCCOCCN(CCOCCOCC2)CN3C(N3C)(C)C)C)C
InChI
InChI=1S/C22H46N6O4/c1-21(2)23(5)27(21)19-25-7-11-29-15-17-31-13-9-26(20-28-22(3,4)24(28)6)10-14-32-18-16-30-12-8-25/h7-20H2,1-6H3
InChIKey
GNZDQLLFQMHLLD-UHFFFAOYSA-N
Compound name
7,16-bis[(2,3,3-trimethyldiaziridin-1-yl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

458.35806 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.36534 179.2
[M+Na]+ 481.34728 190.5
[M+NH4]+ 476.39188 184.8
[M+K]+ 497.32122 188.4
[M-H]- 457.35078 196.9
[M+Na-2H]- 479.33273 188.0
[M]+ 458.35751 187.7
[M]- 458.35861 187.7
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.