CID 135903357

940242-19-3

Structural Information

Molecular Formula
C17H17N3O3
SMILES
C1CC2=C(C=C(C(=O)N2)C(=O)NCC3=CC=CC=C3)/C(=N\O)/C1
InChI
InChI=1S/C17H17N3O3/c21-16(18-10-11-5-2-1-3-6-11)13-9-12-14(19-17(13)22)7-4-8-15(12)20-23/h1-3,5-6,9,23H,4,7-8,10H2,(H,18,21)(H,19,22)/b20-15-
InChIKey
KZLFHFDODGOXMM-HKWRFOASSA-N
Compound name
(5Z)-N-benzyl-5-hydroxyimino-2-oxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.12698 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.13426 169.1
[M+Na]+ 334.11620 174.6
[M-H]- 310.11970 173.5
[M+NH4]+ 329.16080 181.6
[M+K]+ 350.09014 169.4
[M+H-H2O]+ 294.12424 160.0
[M+HCOO]- 356.12518 188.6
[M+CH3COO]- 370.14083 207.1
[M+Na-2H]- 332.10165 174.3
[M]+ 311.12643 165.0
[M]- 311.12753 165.0
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.