CID 109304

1,1,3-trichloro-2,4,4-tris(4-morpholino)-1-butene

Structural Information

Molecular Formula
C16H26Cl3N3O3
SMILES
C1COCCN1C(C(C(=C(Cl)Cl)N2CCOCC2)Cl)N3CCOCC3
InChI
InChI=1S/C16H26Cl3N3O3/c17-13(14(15(18)19)20-1-7-23-8-2-20)16(21-3-9-24-10-4-21)22-5-11-25-12-6-22/h13,16H,1-12H2
InChIKey
YVWFFAAZXOIGDJ-UHFFFAOYSA-N
Compound name
4-(1,1,3-trichloro-4,4-dimorpholin-4-ylbut-1-en-2-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.10397 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.11125 191.8
[M+Na]+ 436.09319 189.7
[M-H]- 412.09669 193.4
[M+NH4]+ 431.13779 193.6
[M+K]+ 452.06713 189.0
[M+H-H2O]+ 396.10123 181.0
[M+HCOO]- 458.10217 179.3
[M+CH3COO]- 472.11782 194.9
[M+Na-2H]- 434.07864 187.1
[M]+ 413.10342 184.5
[M]- 413.10452 184.5
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.