CID 212650

24631-54-7

Structural Information

Molecular Formula
C19H29N5O4
SMILES
CN(CN1C(=O)C2(CCCCC2)NC1=O)CN3C(=O)C4(CCCCC4)NC3=O
InChI
InChI=1S/C19H29N5O4/c1-22(12-23-14(25)18(20-16(23)27)8-4-2-5-9-18)13-24-15(26)19(21-17(24)28)10-6-3-7-11-19/h2-13H2,1H3,(H,20,27)(H,21,28)
InChIKey
KFACPCVNTQQKHI-UHFFFAOYSA-N
Compound name
3-[[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl-methylamino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.22195 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.22923 194.3
[M+Na]+ 414.21117 196.8
[M-H]- 390.21467 197.1
[M+NH4]+ 409.25577 206.3
[M+K]+ 430.18511 192.6
[M+H-H2O]+ 374.21921 184.7
[M+HCOO]- 436.22015 201.4
[M+CH3COO]- 450.23580 217.4
[M+Na-2H]- 412.19662 189.1
[M]+ 391.22140 183.4
[M]- 391.22250 183.4
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.