CID 109602

68134-39-4

Structural Information

Molecular Formula
C18H17IN6O3
SMILES
CCC(=O)NC1=C(C=CC(=C1)N(C)C)N=NC2=C(C=C(C=C2I)[N+](=O)[O-])C#N
InChI
InChI=1S/C18H17IN6O3/c1-4-17(26)21-16-9-12(24(2)3)5-6-15(16)22-23-18-11(10-20)7-13(25(27)28)8-14(18)19/h5-9H,4H2,1-3H3,(H,21,26)
InChIKey
WPPWYKPFBBRQQI-UHFFFAOYSA-N
Compound name
N-[2-[(2-cyano-6-iodo-4-nitrophenyl)diazenyl]-5-(dimethylamino)phenyl]propanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

492.04068 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.04796 216.0
[M+Na]+ 515.02990 219.3
[M+NH4]+ 510.07450 214.4
[M+K]+ 531.00384 214.3
[M-H]- 491.03340 209.8
[M+Na-2H]- 513.01535 207.1
[M]+ 492.04013 212.7
[M]- 492.04123 212.7
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.