CID 176526298

1-[3-(diaminomethylideneamino)-4-(3,4-dihydroxy-4,5-dimethyloxolan-2-yl)oxy-2,5,6-trihydroxycyclohexyl]guanidine

Structural Information

Molecular Formula
C14H28N6O7
SMILES
CC1C(C(C(O1)OC2C(C(C(C(C2O)O)NC(=N)N)O)N=C(N)N)O)(C)O
InChI
InChI=1S/C14H28N6O7/c1-3-14(2,25)10(24)11(26-3)27-9-5(20-13(17)18)6(21)4(19-12(15)16)7(22)8(9)23/h3-11,21-25H,1-2H3,(H4,15,16,19)(H4,17,18,20)
InChIKey
KLBOIHBSAHNBEF-UHFFFAOYSA-N
Compound name
1-[3-(diaminomethylideneamino)-4-(3,4-dihydroxy-4,5-dimethyloxolan-2-yl)oxy-2,5,6-trihydroxycyclohexyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

392.20193 Da
Monoisotopic Mass

-5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.20921 196.8
[M+Na]+ 415.19115 198.3
[M-H]- 391.19465 192.0
[M+NH4]+ 410.23575 198.1
[M+K]+ 431.16509 204.6
[M+H-H2O]+ 375.19919 184.0
[M+HCOO]- 437.20013 200.4
[M+CH3COO]- 451.21578 234.3
[M+Na-2H]- 413.17660 226.9
[M]+ 392.20138 210.7
[M]- 392.20248 210.7
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