CID 3043877

56276-26-7

Structural Information

Molecular Formula
C18H38N6O7
SMILES
COC1COC(C(C1N)N)OC2C(CC(C(C2O)OC3C(C(CC(O3)CN)O)N)N)N
InChI
InChI=1S/C18H38N6O7/c1-27-10-5-28-17(13(24)12(10)23)30-15-7(20)3-8(21)16(14(15)26)31-18-11(22)9(25)2-6(4-19)29-18/h6-18,25-26H,2-5,19-24H2,1H3
InChIKey
HJKXMQLJTKUBMG-UHFFFAOYSA-N
Compound name
3-amino-6-(aminomethyl)-2-[4,6-diamino-3-(3,4-diamino-5-methoxyoxan-2-yl)oxy-2-hydroxycyclohexyl]oxyoxan-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

450.2802 Da
Monoisotopic Mass

-6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.28748 214.8
[M+Na]+ 473.26942 215.0
[M-H]- 449.27292 206.2
[M+NH4]+ 468.31402 214.9
[M+K]+ 489.24336 221.2
[M+H-H2O]+ 433.27746 204.0
[M+HCOO]- 495.27840 217.0
[M+CH3COO]- 509.29405 251.6
[M+Na-2H]- 471.25487 248.6
[M]+ 450.27965 226.2
[M]- 450.28075 226.2
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