CID 495744

Nsc667482

Structural Information

Molecular Formula
C18H23N5O5
SMILES
C1[C@H]([C@@H](O[C@@H]1N2C=C(C(=O)NC2=O)NN=NCCCC3=CC=CC=C3)CO)O
InChI
InChI=1S/C18H23N5O5/c24-11-15-14(25)9-16(28-15)23-10-13(17(26)20-18(23)27)21-22-19-8-4-7-12-5-2-1-3-6-12/h1-3,5-6,10,14-16,24-25H,4,7-9,11H2,(H,19,21)(H,20,26,27)/t14-,15+,16+/m1/s1
InChIKey
OJAUZFHLIDATKU-PMPSAXMXSA-N
Compound name
1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[2-(3-phenylpropylimino)hydrazinyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.16992 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.17720 188.3
[M+Na]+ 412.15914 193.7
[M-H]- 388.16264 195.2
[M+NH4]+ 407.20374 195.5
[M+K]+ 428.13308 190.1
[M+H-H2O]+ 372.16718 177.5
[M+HCOO]- 434.16812 209.9
[M+CH3COO]- 448.18377 223.8
[M+Na-2H]- 410.14459 190.9
[M]+ 389.16937 188.7
[M]- 389.17047 188.7
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.