CID 3013325

[(1s,2z)-2-[[2-amino-6-(2,2-dimethylpropylamino)purin-9-yl]methylene]cyclopropyl]methanol

Structural Information

Molecular Formula
C15H22N6O
SMILES
CC(C)(C)CNC1=C2C(=NC(=N1)N)N(C=N2)/C=C\3/C[C@@H]3CO
InChI
InChI=1S/C15H22N6O/c1-15(2,3)7-17-12-11-13(20-14(16)19-12)21(8-18-11)5-9-4-10(9)6-22/h5,8,10,22H,4,6-7H2,1-3H3,(H3,16,17,19,20)/b9-5-/t10-/m1/s1
InChIKey
NCTONRJUVITVMN-HYHWUIIZSA-N
Compound name
[(1S,2Z)-2-[[2-amino-6-(2,2-dimethylpropylamino)purin-9-yl]methylidene]cyclopropyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.18552 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.19280 182.7
[M+Na]+ 325.17474 194.0
[M-H]- 301.17824 185.1
[M+NH4]+ 320.21934 190.2
[M+K]+ 341.14868 185.5
[M+H-H2O]+ 285.18278 174.6
[M+HCOO]- 347.18372 201.1
[M+CH3COO]- 361.19937 210.1
[M+Na-2H]- 323.16019 186.2
[M]+ 302.18497 186.1
[M]- 302.18607 186.1
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.