CID 3051225

67349-38-6

Structural Information

Molecular Formula
C16H25N9O4
SMILES
C1C(C(OC1N2C=NC3=C(N=CN=C32)N)CC(CCC(C(=O)N)NC(=O)N)N)O
InChI
InChI=1S/C16H25N9O4/c17-7(1-2-8(14(19)27)24-16(20)28)3-10-9(26)4-11(29-10)25-6-23-12-13(18)21-5-22-15(12)25/h5-11,26H,1-4,17H2,(H2,19,27)(H2,18,21,22)(H3,20,24,28)
InChIKey
YMZIVNTXFCXHQI-UHFFFAOYSA-N
Compound name
5-amino-6-[5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]-2-(carbamoylamino)hexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.20294 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.21022 190.1
[M+Na]+ 430.19216 192.1
[M+NH4]+ 425.23676 190.6
[M+K]+ 446.16610 197.9
[M-H]- 406.19566 190.5
[M+Na-2H]- 428.17761 188.4
[M]+ 407.20239 189.2
[M]- 407.20349 189.2
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

No patent data available for this compound.