CID 5463773

Ec 403-010-7

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
2
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]+ 468.198976 221.5
[M+Na]+ 490.180918 223.7
[M-H]- 466.184424 227.9
[M+NH4]+ 485.225523 269.7
[M+K]+ 506.154858 214.6
[M+H-H2O]+ 450.188960 211.5
[M+HCOO]- 512.189901 274.6
[M+CH3COO]- 526.205551 247.8
[M+Na-2H]- 488.166366 223.2
[M]+ 467.19115142 216.4
[M]- 467.19224858 216.4
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