CID 14205094

117584-16-4

Structural Information

Molecular Formula
C21H14Cl2N4O2
SMILES
CN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)N=NC4=C(C=C(C=C4Cl)[N+](=O)[O-])Cl
InChI
InChI=1S/C21H14Cl2N4O2/c1-26-18-10-6-5-9-15(18)19(21(26)13-7-3-2-4-8-13)24-25-20-16(22)11-14(27(28)29)12-17(20)23/h2-12H,1H3
InChIKey
AGAPSPQFVSODLG-UHFFFAOYSA-N
Compound name
(2,6-dichloro-4-nitrophenyl)-(1-methyl-2-phenylindol-3-yl)diazene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

8
Patents

424.04938 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.056656 204.0
[M+Na]+ 447.038598 213.4
[M-H]- 423.042104 215.2
[M+NH4]+ 442.083203 216.2
[M+K]+ 463.012538 202.4
[M+H-H2O]+ 407.046640 198.3
[M+HCOO]- 469.047581 223.1
[M+CH3COO]- 483.063231 227.9
[M+Na-2H]- 445.024046 208.5
[M]+ 424.04883142 210.3
[M]- 424.04992858 210.3
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

patents stripe