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 198.4
[M+Na]+ 430.10595 204.5
[M-H]- 406.10945 206.3
[M+NH4]+ 425.15055 210.9
[M+K]+ 446.07989 198.8
[M+H-H2O]+ 390.11399 190.1
[M+HCOO]- 452.11493 215.8
[M+CH3COO]- 466.13058 234.2
[M+Na-2H]- 428.09140 199.2
[M]+ 407.11618 206.2
[M]- 407.11728 206.2
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.