CID 475107

(1r,2s)-2-[2-(6-amino-5-nitropyrimidin-4-ylamino)cyclopent-4-enyl]ethanol

Structural Information

Molecular Formula
C11H15N5O3
SMILES
C1C=C[C@@H]([C@H]1NC2=NC=NC(=C2[N+](=O)[O-])N)CCO
InChI
InChI=1S/C11H15N5O3/c12-10-9(16(18)19)11(14-6-13-10)15-8-3-1-2-7(8)4-5-17/h1-2,6-8,17H,3-5H2,(H3,12,13,14,15)/t7-,8+/m1/s1
InChIKey
AAZCDWFCAYGUJL-SFYZADRCSA-N
Compound name
2-[(1S,5S)-5-[(6-amino-5-nitropyrimidin-4-yl)amino]cyclopent-2-en-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.1175 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.12478 154.1
[M+Na]+ 288.10672 159.4
[M-H]- 264.11022 157.0
[M+NH4]+ 283.15132 167.3
[M+K]+ 304.08066 152.0
[M+H-H2O]+ 248.11476 149.9
[M+HCOO]- 310.11570 177.4
[M+CH3COO]- 324.13135 192.1
[M+Na-2H]- 286.09217 160.2
[M]+ 265.11695 149.4
[M]- 265.11805 149.4
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.