CID 3008716

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

Structural Information

Molecular Formula
C23H37N5O
SMILES
CC(CCCCCCCON1C(=NC(=NC12CCCCC2)N)N)C3=CC=CC=C3
InChI
InChI=1S/C23H37N5O/c1-19(20-14-8-5-9-15-20)13-7-3-2-4-12-18-29-28-22(25)26-21(24)27-23(28)16-10-6-11-17-23/h5,8-9,14-15,19H,2-4,6-7,10-13,16-18H2,1H3,(H4,24,25,26,27)
InChIKey
UCCJGFMWKJXRNV-UHFFFAOYSA-N
Compound name
5-(8-phenylnonoxy)-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

399.2998 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.30708 200.9
[M+Na]+ 422.28902 202.2
[M-H]- 398.29252 202.4
[M+NH4]+ 417.33362 208.3
[M+K]+ 438.26296 196.3
[M+H-H2O]+ 382.29706 188.6
[M+HCOO]- 444.29800 213.8
[M+CH3COO]- 458.31365 227.9
[M+Na-2H]- 420.27447 201.3
[M]+ 399.29925 195.6
[M]- 399.30035 195.6
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.