CID 109602

Einecs 268-751-9

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 218.8
[M+Na]+ 515.02990 218.5
[M-H]- 491.03340 220.2
[M+NH4]+ 510.07450 224.1
[M+K]+ 531.00384 217.8
[M+H-H2O]+ 475.03794 202.7
[M+HCOO]- 537.03888 238.2
[M+CH3COO]- 551.05453 244.4
[M+Na-2H]- 513.01535 209.0
[M]+ 492.04013 212.1
[M]- 492.04123 212.1
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.