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
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 221.5
[M+Na]+ 490.18092 223.7
[M-H]- 466.18442 227.9
[M+NH4]+ 485.22552 269.7
[M+K]+ 506.15486 214.6
[M+H-H2O]+ 450.18896 211.5
[M+HCOO]- 512.18990 274.6
[M+CH3COO]- 526.20555 247.8
[M+Na-2H]- 488.16637 223.2
[M]+ 467.19115 216.4
[M]- 467.19225 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