CID 379069

Nsc663244

Structural Information

Molecular Formula
C20H34N8O4
SMILES
C1C(C(=O)NC(=O)N1CCCCCCCCCCN2CC(C(=O)NC2=O)C(=N)N)C(=N)N
InChI
InChI=1S/C20H34N8O4/c21-15(22)13-11-27(19(31)25-17(13)29)9-7-5-3-1-2-4-6-8-10-28-12-14(16(23)24)18(30)26-20(28)32/h13-14H,1-12H2,(H3,21,22)(H3,23,24)(H,25,29,31)(H,26,30,32)
InChIKey
PFIHAPIECMJACH-UHFFFAOYSA-N
Compound name
1-[10-(5-carbamimidoyl-2,4-dioxo-1,3-diazinan-1-yl)decyl]-2,4-dioxo-1,3-diazinane-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.2703 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.27758 210.3
[M+Na]+ 473.25952 210.3
[M-H]- 449.26302 206.8
[M+NH4]+ 468.30412 210.6
[M+K]+ 489.23346 204.3
[M+H-H2O]+ 433.26756 199.9
[M+HCOO]- 495.26850 218.7
[M+CH3COO]- 509.28415 243.6
[M+Na-2H]- 471.24497 203.7
[M]+ 450.26975 199.8
[M]- 450.27085 199.8
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.