CID 37913

38115-54-7

Structural Information

Molecular Formula
C17H18ClN3O2
SMILES
CC1=C(C=CC(=C1)N(C)CCCl)N=NC2=CC=CC=C2C(=O)O
InChI
InChI=1S/C17H18ClN3O2/c1-12-11-13(21(2)10-9-18)7-8-15(12)19-20-16-6-4-3-5-14(16)17(22)23/h3-8,11H,9-10H2,1-2H3,(H,22,23)
InChIKey
FONSTHKLWINFKT-UHFFFAOYSA-N
Compound name
2-[[4-[2-chloroethyl(methyl)amino]-2-methylphenyl]diazenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.10876 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.11604 177.4
[M+Na]+ 354.09798 190.3
[M+NH4]+ 349.14258 184.9
[M+K]+ 370.07192 182.5
[M-H]- 330.10148 183.3
[M+Na-2H]- 352.08343 185.9
[M]+ 331.10821 181.1
[M]- 331.10931 181.1
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.