CID 9575014

(ne)-n'-[1-[(2r,4r,5s)-4,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]-2-oxo-pyrimidin-4-yl]-n-[(2e,4e)-hexa-2,4-dienylidene]formamidine

Structural Information

Molecular Formula
C17H22N4O4
SMILES
C/C=C/C=C/C=NC=NC1=NC(=O)N(C=C1)[C@H]2C[C@@H]([C@H](O2)CO)CO
InChI
InChI=1S/C17H22N4O4/c1-2-3-4-5-7-18-12-19-15-6-8-21(17(24)20-15)16-9-13(10-22)14(11-23)25-16/h2-8,12-14,16,22-23H,9-11H2,1H3/b3-2+,5-4+,18-7?,19-12?/t13-,14-,16-/m1/s1
InChIKey
QHXPLUCTRPYJEK-OQDZOJRQSA-N
Compound name
N'-[1-[(2R,4R,5S)-4,5-bis(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-N-[(2E,4E)-hexa-2,4-dienylidene]methanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

346.1641 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.17138 182.8
[M+Na]+ 369.15332 189.2
[M-H]- 345.15682 187.3
[M+NH4]+ 364.19792 193.4
[M+K]+ 385.12726 184.9
[M+H-H2O]+ 329.16136 173.3
[M+HCOO]- 391.16230 204.3
[M+CH3COO]- 405.17795 214.1
[M+Na-2H]- 367.13877 183.8
[M]+ 346.16355 184.4
[M]- 346.16465 184.4
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.