CID 38400

Nsc 240415

Structural Information

Molecular Formula
C20H23Cl2N3O2
SMILES
CC1=C(C=CC(=C1)N(CCCCl)CCCCl)N=NC2=CC=CC=C2C(=O)O
InChI
InChI=1S/C20H23Cl2N3O2/c1-15-14-16(25(12-4-10-21)13-5-11-22)8-9-18(15)23-24-19-7-3-2-6-17(19)20(26)27/h2-3,6-9,14H,4-5,10-13H2,1H3,(H,26,27)
InChIKey
JHXSLWUFMYYBJP-UHFFFAOYSA-N
Compound name
2-[[4-[bis(3-chloropropyl)amino]-2-methylphenyl]diazenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.11673 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.12401 196.8
[M+Na]+ 430.10595 209.6
[M+NH4]+ 425.15055 203.9
[M+K]+ 446.07989 200.3
[M-H]- 406.10945 202.3
[M+Na-2H]- 428.09140 204.3
[M]+ 407.11618 200.7
[M]- 407.11728 200.7
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.