CID 5463773

106359-94-8

Structural Information

Molecular Formula
C22H25N7O5
SMILES
CCCN(CCC)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])C#N)NC(=O)CC
InChI
InChI=1S/C22H25N7O5/c1-4-9-27(10-5-2)16-7-8-18(19(12-16)24-21(30)6-3)25-26-22-15(14-23)11-17(28(31)32)13-20(22)29(33)34/h7-8,11-13H,4-6,9-10H2,1-3H3,(H,24,30)
InChIKey
NWYOTHZBYSKPSO-UHFFFAOYSA-N
Compound name
N-[2-[(2-cyano-4,6-dinitrophenyl)diazenyl]-5-(dipropylamino)phenyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

467.1917 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.19898 214.5
[M+Na]+ 490.18092 218.1
[M+NH4]+ 485.22552 220.8
[M+K]+ 506.15486 223.7
[M-H]- 466.18442 210.7
[M+Na-2H]- 488.16637 208.3
[M]+ 467.19115 215.4
[M]- 467.19225 215.4
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