CID 104720

Einecs 259-073-4

Structural Information

Molecular Formula
C18H19IN6O5
SMILES
CCN(CC)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2I)[N+](=O)[O-])[N+](=O)[O-])NC(=O)C
InChI
InChI=1S/C18H19IN6O5/c1-4-23(5-2)12-6-7-15(16(9-12)20-11(3)26)21-22-18-14(19)8-13(24(27)28)10-17(18)25(29)30/h6-10H,4-5H2,1-3H3,(H,20,26)
InChIKey
VCRDINZBONZRTI-UHFFFAOYSA-N
Compound name
N-[5-(diethylamino)-2-[(2-iodo-4,6-dinitrophenyl)diazenyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

526.04614 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 527.05342 222.7
[M+Na]+ 549.03536 218.2
[M-H]- 525.03886 225.3
[M+NH4]+ 544.07996 226.5
[M+K]+ 565.00930 215.0
[M+H-H2O]+ 509.04340 216.2
[M+HCOO]- 571.04434 246.1
[M+CH3COO]- 585.05999 237.7
[M+Na-2H]- 547.02081 215.3
[M]+ 526.04559 219.5
[M]- 526.04669 219.5
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