CID 3008696

11-decoxy-3-methyl-7,9,11-triazaspiro[5.5]undeca-7,9-diene-8,10-diamine

Structural Information

Molecular Formula
C19H37N5O
SMILES
CCCCCCCCCCON1C(=NC(=NC12CCC(CC2)C)N)N
InChI
InChI=1S/C19H37N5O/c1-3-4-5-6-7-8-9-10-15-25-24-18(21)22-17(20)23-19(24)13-11-16(2)12-14-19/h16H,3-15H2,1-2H3,(H4,20,21,22,23)
InChIKey
KQTGYNLJGRAPQA-UHFFFAOYSA-N
Compound name
5-decoxy-9-methyl-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

351.2998 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.30708 190.3
[M+Na]+ 374.28902 193.3
[M-H]- 350.29252 189.2
[M+NH4]+ 369.33362 200.8
[M+K]+ 390.26296 188.6
[M+H-H2O]+ 334.29706 180.0
[M+HCOO]- 396.29800 204.2
[M+CH3COO]- 410.31365 220.7
[M+Na-2H]- 372.27447 190.6
[M]+ 351.29925 187.3
[M]- 351.30035 187.3
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.