CID 3008717

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

Structural Information

Molecular Formula
C24H39N5O
SMILES
C1CCC2(CC1)N=C(N=C(N2OCCCCCCCCCCC3=CC=CC=C3)N)N
InChI
InChI=1S/C24H39N5O/c25-22-27-23(26)29(24(28-22)18-12-8-13-19-24)30-20-14-6-4-2-1-3-5-9-15-21-16-10-7-11-17-21/h7,10-11,16-17H,1-6,8-9,12-15,18-20H2,(H4,25,26,27,28)
InChIKey
XBPKDIUMNXGHPM-UHFFFAOYSA-N
Compound name
5-(10-phenyldecoxy)-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

413.31546 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.32274 204.1
[M+Na]+ 436.30468 205.2
[M-H]- 412.30818 205.2
[M+NH4]+ 431.34928 211.0
[M+K]+ 452.27862 198.6
[M+H-H2O]+ 396.31272 191.3
[M+HCOO]- 458.31366 217.6
[M+CH3COO]- 472.32931 230.0
[M+Na-2H]- 434.29013 205.2
[M]+ 413.31491 199.6
[M]- 413.31601 199.6
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.