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
2
Annotation Hits

0
References

6
Patents

424.04938 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.05666 204.0
[M+Na]+ 447.03860 213.4
[M-H]- 423.04210 215.2
[M+NH4]+ 442.08320 216.2
[M+K]+ 463.01254 202.4
[M+H-H2O]+ 407.04664 198.3
[M+HCOO]- 469.04758 223.1
[M+CH3COO]- 483.06323 227.9
[M+Na-2H]- 445.02405 208.5
[M]+ 424.04883 210.3
[M]- 424.04993 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