CID 3008719

11-(12-phenyldodecoxy)-7,9,11-triazaspiro[5.5]undeca-7,9-diene-8,10-diamine

Structural Information

Molecular Formula
C26H43N5O
SMILES
C1CCC2(CC1)N=C(N=C(N2OCCCCCCCCCCCCC3=CC=CC=C3)N)N
InChI
InChI=1S/C26H43N5O/c27-24-29-25(28)31(26(30-24)20-14-10-15-21-26)32-22-16-8-6-4-2-1-3-5-7-11-17-23-18-12-9-13-19-23/h9,12-13,18-19H,1-8,10-11,14-17,20-22H2,(H4,27,28,29,30)
InChIKey
WSJMBEZVYGYWRU-UHFFFAOYSA-N
Compound name
5-(12-phenyldodecoxy)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.34677 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.35405 212.0
[M+Na]+ 464.33599 212.1
[M-H]- 440.33949 212.7
[M+NH4]+ 459.38059 217.6
[M+K]+ 480.30993 205.1
[M+H-H2O]+ 424.34403 198.7
[M+HCOO]- 486.34497 224.8
[M+CH3COO]- 500.36062 235.8
[M+Na-2H]- 462.32144 212.1
[M]+ 441.34622 208.1
[M]- 441.34732 208.1
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.