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 175.8
[M+Na]+ 349.12710 180.0
[M-H]- 325.13060 185.0
[M+NH4]+ 344.17170 189.2
[M+K]+ 365.10104 179.0
[M+H-H2O]+ 309.13514 165.8
[M+HCOO]- 371.13608 204.3
[M+CH3COO]- 385.15173 223.8
[M+Na-2H]- 347.11255 179.8
[M]+ 326.13733 177.6
[M]- 326.13843 177.6
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.