CID 150256355

(1s,4r)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-ene-1-carbaldehyde

Structural Information

Molecular Formula
C14H16N6O
SMILES
C1CC1NC2=C3C(=NC(=N2)N)N(C=N3)[C@@H]4C[C@@H](C=C4)C=O
InChI
InChI=1S/C14H16N6O/c15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21/h1,4,6-10H,2-3,5H2,(H3,15,17,18,19)/t8-,10+/m1/s1
InChIKey
GAQHYMTVIKGKSB-SCZZXKLOSA-N
Compound name
(1S,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-ene-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.13855 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.145826 169.0
[M+Na]+ 307.127768 180.7
[M-H]- 283.131274 175.8
[M+NH4]+ 302.172373 178.8
[M+K]+ 323.101708 173.0
[M+H-H2O]+ 267.135810 160.1
[M+HCOO]- 329.136751 191.5
[M+CH3COO]- 343.152401 179.9
[M+Na-2H]- 305.113216 171.4
[M]+ 284.13800142 171.5
[M]- 284.13909858 171.5
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.