CID 21119602

Cbrffwmebajtjo-uhfffaoysa-n

Structural Information

Molecular Formula
C22H28Cl2N4O2
SMILES
CCC(CC)(CCN(CC)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C)Cl
InChI
InChI=1S/C22H28Cl2N4O2/c1-5-22(24,6-2)12-13-27(7-3)17-8-10-20(16(4)14-17)25-26-21-11-9-18(28(29)30)15-19(21)23/h8-11,14-15H,5-7,12-13H2,1-4H3
InChIKey
CBRFFWMEBAJTJO-UHFFFAOYSA-N
Compound name
N-(3-chloro-3-ethylpentyl)-4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethyl-3-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.15894 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.166216 215.7
[M+Na]+ 473.148158 220.2
[M-H]- 449.151664 224.3
[M+NH4]+ 468.192763 226.3
[M+K]+ 489.122098 211.4
[M+H-H2O]+ 433.156200 211.5
[M+HCOO]- 495.157141 233.2
[M+CH3COO]- 509.172791 240.9
[M+Na-2H]- 471.133606 218.0
[M]+ 450.15839142 222.8
[M]- 450.15948858 222.8
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.