CID 78843

5165-79-7

Structural Information

Molecular Formula
C18H20N4O4
SMILES
CC1=CC(=C(C=C1OC)NC(=O)C2=CC=CC=C2)N=NN(C)CC(=O)O
InChI
InChI=1S/C18H20N4O4/c1-12-9-15(20-21-22(2)11-17(23)24)14(10-16(12)26-3)19-18(25)13-7-5-4-6-8-13/h4-10H,11H2,1-3H3,(H,19,25)(H,23,24)
InChIKey
LSUXPFNCFSNQOA-UHFFFAOYSA-N
Compound name
2-[[(2-benzamido-4-methoxy-5-methylphenyl)diazenyl]-methylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.14847 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.15575 184.3
[M+Na]+ 379.13769 193.4
[M+NH4]+ 374.18229 189.2
[M+K]+ 395.11163 188.7
[M-H]- 355.14119 188.9
[M+Na-2H]- 377.12314 190.8
[M]+ 356.14792 186.4
[M]- 356.14902 186.4
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.