CID 6508659

Nsc115165

Structural Information

Molecular Formula
C12H16N4O3
SMILES
CCOC(=O)C1=CC(=CN1)N/N=C\2/CCCNC2=O
InChI
InChI=1S/C12H16N4O3/c1-2-19-12(18)10-6-8(7-14-10)15-16-9-4-3-5-13-11(9)17/h6-7,14-15H,2-5H2,1H3,(H,13,17)/b16-9-
InChIKey
RHKZPPJINCIOIN-SXGWCWSVSA-N
Compound name
ethyl 4-[(2Z)-2-(2-oxopiperidin-3-ylidene)hydrazinyl]-1H-pyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.12225 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.12953 158.9
[M+Na]+ 287.11147 163.1
[M-H]- 263.11497 161.1
[M+NH4]+ 282.15607 172.7
[M+K]+ 303.08541 159.8
[M+H-H2O]+ 247.11951 150.1
[M+HCOO]- 309.12045 178.5
[M+CH3COO]- 323.13610 195.7
[M+Na-2H]- 285.09692 160.7
[M]+ 264.12170 153.6
[M]- 264.12280 153.6
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.