CID 135415566

Chembl183078

Structural Information

Molecular Formula
C16H16N4O3
SMILES
CC(=O)NC1=CC=C(C=C1)NC(=O)N/N=C/C2=CC=CC=C2O
InChI
InChI=1S/C16H16N4O3/c1-11(21)18-13-6-8-14(9-7-13)19-16(23)20-17-10-12-4-2-3-5-15(12)22/h2-10,22H,1H3,(H,18,21)(H2,19,20,23)/b17-10+
InChIKey
LSPZHYIIYBQRJU-LICLKQGHSA-N
Compound name
N-[4-[[(E)-(2-hydroxyphenyl)methylideneamino]carbamoylamino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

312.12225 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.12953 170.8
[M+Na]+ 335.11147 175.1
[M-H]- 311.11497 177.5
[M+NH4]+ 330.15607 183.7
[M+K]+ 351.08541 172.1
[M+H-H2O]+ 295.11951 161.5
[M+HCOO]- 357.12045 197.7
[M+CH3COO]- 371.13610 214.1
[M+Na-2H]- 333.09692 175.6
[M]+ 312.12170 169.0
[M]- 312.12280 169.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.