CID 3068826

83860-41-7

Structural Information

Molecular Formula
C18H37N5O5
SMILES
CCNCC1CCC(C(O1)OC2C(CC(C(C2O)N(C)C(=O)CN)OC)N)N
InChI
InChI=1S/C18H37N5O5/c1-4-22-9-10-5-6-11(20)18(27-10)28-17-12(21)7-13(26-3)15(16(17)25)23(2)14(24)8-19/h10-13,15-18,22,25H,4-9,19-21H2,1-3H3
InChIKey
XKGUGTMUSMUVIP-UHFFFAOYSA-N
Compound name
2-amino-N-[4-amino-3-[3-amino-6-(ethylaminomethyl)oxan-2-yl]oxy-2-hydroxy-6-methoxycyclohexyl]-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

403.27948 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.28676 200.1
[M+Na]+ 426.26870 199.5
[M-H]- 402.27220 204.3
[M+NH4]+ 421.31330 207.4
[M+K]+ 442.24264 200.4
[M+H-H2O]+ 386.27674 190.8
[M+HCOO]- 448.27768 215.5
[M+CH3COO]- 462.29333 241.1
[M+Na-2H]- 424.25415 194.2
[M]+ 403.27893 193.9
[M]- 403.28003 193.9
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

patents stripe