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 183.1
[M+Na]+ 379.13769 187.6
[M-H]- 355.14119 192.5
[M+NH4]+ 374.18229 195.5
[M+K]+ 395.11163 187.2
[M+H-H2O]+ 339.14573 172.9
[M+HCOO]- 401.14667 211.4
[M+CH3COO]- 415.16232 230.3
[M+Na-2H]- 377.12314 186.0
[M]+ 356.14792 187.1
[M]- 356.14902 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.