CID 135403708

141581-87-5

Structural Information

Molecular Formula
C16H18N2O4
SMILES
CCOC(=O)CN1CC(=C(C1=O)C=NCC2=CC=CC=C2)O
InChI
InChI=1S/C16H18N2O4/c1-2-22-15(20)11-18-10-14(19)13(16(18)21)9-17-8-12-6-4-3-5-7-12/h3-7,9,19H,2,8,10-11H2,1H3
InChIKey
KJNAVCCBWLYQKE-UHFFFAOYSA-N
Compound name
ethyl 2-[4-(benzyliminomethyl)-3-hydroxy-5-oxo-2H-pyrrol-1-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.12665 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.133926 169.1
[M+Na]+ 325.115868 175.8
[M-H]- 301.119374 174.6
[M+NH4]+ 320.160473 184.3
[M+K]+ 341.089808 172.7
[M+H-H2O]+ 285.123910 160.8
[M+HCOO]- 347.124851 192.3
[M+CH3COO]- 361.140501 204.7
[M+Na-2H]- 323.101316 170.0
[M]+ 302.12610142 172.0
[M]- 302.12719858 172.0
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.