CID 108690

Einecs 259-552-8

Structural Information

Molecular Formula
C19H19IN6O3
SMILES
CCN(CC)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2I)[N+](=O)[O-])C#N)NC(=O)C
InChI
InChI=1S/C19H19IN6O3/c1-4-25(5-2)14-6-7-17(18(10-14)22-12(3)27)23-24-19-13(11-21)8-15(26(28)29)9-16(19)20/h6-10H,4-5H2,1-3H3,(H,22,27)
InChIKey
ZFMQRWQCUFFDIS-UHFFFAOYSA-N
Compound name
N-[2-[(2-cyano-6-iodo-4-nitrophenyl)diazenyl]-5-(diethylamino)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

506.05634 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.06362 223.0
[M+Na]+ 529.04556 222.2
[M-H]- 505.04906 224.2
[M+NH4]+ 524.09016 227.7
[M+K]+ 545.01950 221.4
[M+H-H2O]+ 489.05360 206.7
[M+HCOO]- 551.05454 242.0
[M+CH3COO]- 565.07019 246.9
[M+Na-2H]- 527.03101 212.7
[M]+ 506.05579 216.5
[M]- 506.05689 216.5
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