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 189.7
[M+Na]+ 430.19216 192.7
[M-H]- 406.19566 191.8
[M+NH4]+ 425.23676 195.0
[M+K]+ 446.16610 191.8
[M+H-H2O]+ 390.20020 180.0
[M+HCOO]- 452.20114 205.7
[M+CH3COO]- 466.21679 235.4
[M+Na-2H]- 428.17761 187.4
[M]+ 407.20239 186.0
[M]- 407.20349 186.0
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