CID 106006

67893-43-0

Structural Information

Molecular Formula
C17H18N4O3
SMILES
CC1=C(C=CC(=C1)N=NN(C)CC(=O)O)NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C17H18N4O3/c1-12-10-14(19-20-21(2)11-16(22)23)8-9-15(12)18-17(24)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,18,24)(H,22,23)
InChIKey
GKXURLPKAHUJLY-UHFFFAOYSA-N
Compound name
2-[[(4-benzamido-3-methylphenyl)diazenyl]-methylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.13788 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.14516 177.1
[M+Na]+ 349.12710 186.6
[M+NH4]+ 344.17170 182.8
[M+K]+ 365.10104 181.4
[M-H]- 325.13060 182.2
[M+Na-2H]- 347.11255 184.6
[M]+ 326.13733 179.5
[M]- 326.13843 179.5
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.