CID 135499454

Nsc660338

Structural Information

Molecular Formula
C14H15ClN4O2
SMILES
CC1=C(C(=O)NC(=N1)N/N=C/C2=CC=CC=C2Cl)CCO
InChI
InChI=1S/C14H15ClN4O2/c1-9-11(6-7-20)13(21)18-14(17-9)19-16-8-10-4-2-3-5-12(10)15/h2-5,8,20H,6-7H2,1H3,(H2,17,18,19,21)/b16-8+
InChIKey
IHEPRAUXXBYCPG-LZYBPNLTSA-N
Compound name
2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.08835 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.09563 169.1
[M+Na]+ 329.07757 178.4
[M-H]- 305.08107 172.3
[M+NH4]+ 324.12217 181.2
[M+K]+ 345.05151 171.4
[M+H-H2O]+ 289.08561 160.5
[M+HCOO]- 351.08655 187.4
[M+CH3COO]- 365.10220 205.4
[M+Na-2H]- 327.06302 174.1
[M]+ 306.08780 170.9
[M]- 306.08890 170.9
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.