CID 45048786

2',3'-isopropylidene-5'-trityladenosine

Structural Information

Molecular Formula
C32H31N5O4
SMILES
CC1(OC2[C@@H](OC(C2O1)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)N6C=NC7=C(N=CN=C76)N)C
InChI
InChI=1S/C32H31N5O4/c1-31(2)40-26-24(39-30(27(26)41-31)37-20-36-25-28(33)34-19-35-29(25)37)18-38-32(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,19-20,24,26-27,30H,18H2,1-2H3,(H2,33,34,35)/t24?,26?,27?,30-/m1/s1
InChIKey
WEESNKCZWANQSJ-FAPHRTFESA-N
Compound name
9-[(4R)-2,2-dimethyl-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]purin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

549.2376 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 550.24488 222.2
[M+Na]+ 572.22682 229.1
[M-H]- 548.23032 237.2
[M+NH4]+ 567.27142 225.2
[M+K]+ 588.20076 226.6
[M+H-H2O]+ 532.23486 211.8
[M+HCOO]- 594.23580 234.1
[M+CH3COO]- 608.25145 229.5
[M+Na-2H]- 570.21227 220.3
[M]+ 549.23705 226.0
[M]- 549.23815 226.0
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

No patent data available for this compound.