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 178.0
[M+Na]+ 354.09798 185.0
[M-H]- 330.10148 187.4
[M+NH4]+ 349.14258 193.2
[M+K]+ 370.07192 181.4
[M+H-H2O]+ 314.10602 169.6
[M+HCOO]- 376.10696 201.6
[M+CH3COO]- 390.12261 221.6
[M+Na-2H]- 352.08343 181.3
[M]+ 331.10821 183.4
[M]- 331.10931 183.4
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.