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 234.1
[M+Na]+ 481.34728 237.5
[M-H]- 457.35078 236.5
[M+NH4]+ 476.39188 222.9
[M+K]+ 497.32122 242.8
[M+H-H2O]+ 441.35532 228.4
[M+HCOO]- 503.35626 232.7
[M+CH3COO]- 517.37191 234.6
[M+Na-2H]- 479.33273 227.1
[M]+ 458.35751 234.1
[M]- 458.35861 234.1
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.