CID 3013710

[(1r,4r)-4-(6-aminopurin-9-yl)-2,3-dimethyl-1-phenyl-cyclopent-2-en-1-yl]methanol

Structural Information

Molecular Formula
C19H21N5O
SMILES
CC1=C([C@](C[C@H]1N2C=NC3=C(N=CN=C32)N)(CO)C4=CC=CC=C4)C
InChI
InChI=1S/C19H21N5O/c1-12-13(2)19(9-25,14-6-4-3-5-7-14)8-15(12)24-11-23-16-17(20)21-10-22-18(16)24/h3-7,10-11,15,25H,8-9H2,1-2H3,(H2,20,21,22)/t15-,19+/m1/s1
InChIKey
PZTKROMMSBEJOR-BEFAXECRSA-N
Compound name
[(1R,4R)-4-(6-aminopurin-9-yl)-2,3-dimethyl-1-phenylcyclopent-2-en-1-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

335.17462 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.18190 179.1
[M+Na]+ 358.16384 190.2
[M-H]- 334.16734 185.0
[M+NH4]+ 353.20844 193.3
[M+K]+ 374.13778 183.3
[M+H-H2O]+ 318.17188 169.2
[M+HCOO]- 380.17282 198.5
[M+CH3COO]- 394.18847 189.9
[M+Na-2H]- 356.14929 180.7
[M]+ 335.17407 180.4
[M]- 335.17517 180.4
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.