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]+ 357.155746 183.1
[M+Na]+ 379.137688 187.6
[M-H]- 355.141194 192.5
[M+NH4]+ 374.182293 195.5
[M+K]+ 395.111628 187.2
[M+H-H2O]+ 339.145730 172.9
[M+HCOO]- 401.146671 211.4
[M+CH3COO]- 415.162321 230.3
[M+Na-2H]- 377.123136 186.0
[M]+ 356.14792142 187.1
[M]- 356.14901858 187.1
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.