CID 3008718

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

Structural Information

Molecular Formula
C25H41N5O
SMILES
CC(CCCCCCCCCON1C(=NC(=NC12CCCCC2)N)N)C3=CC=CC=C3
InChI
InChI=1S/C25H41N5O/c1-21(22-16-10-7-11-17-22)15-9-5-3-2-4-6-14-20-31-30-24(27)28-23(26)29-25(30)18-12-8-13-19-25/h7,10-11,16-17,21H,2-6,8-9,12-15,18-20H2,1H3,(H4,26,27,28,29)
InChIKey
DOEPBYIXZFFQSG-UHFFFAOYSA-N
Compound name
5-(10-phenylundecoxy)-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

427.33112 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.33840 208.9
[M+Na]+ 450.32034 209.2
[M-H]- 426.32384 210.0
[M+NH4]+ 445.36494 215.1
[M+K]+ 466.29428 203.0
[M+H-H2O]+ 410.32838 196.2
[M+HCOO]- 472.32932 221.1
[M+CH3COO]- 486.34497 233.7
[M+Na-2H]- 448.30579 208.4
[M]+ 427.33057 204.2
[M]- 427.33167 204.2
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.