CID 92440

Einecs 260-248-2

Structural Information

Molecular Formula
C22H23N7O3
SMILES
CCCN(CCC)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2C#N)[N+](=O)[O-])C#N)NC(=O)C
InChI
InChI=1S/C22H23N7O3/c1-4-8-28(9-5-2)18-6-7-20(21(12-18)25-15(3)30)26-27-22-16(13-23)10-19(29(31)32)11-17(22)14-24/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,25,30)
InChIKey
BRFLEIZLMZUSSP-UHFFFAOYSA-N
Compound name
N-[2-[(2,6-dicyano-4-nitrophenyl)diazenyl]-5-(dipropylamino)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

433.18625 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.19353 213.0
[M+Na]+ 456.17547 218.3
[M-H]- 432.17897 218.0
[M+NH4]+ 451.22007 218.0
[M+K]+ 472.14941 212.8
[M+H-H2O]+ 416.18351 197.0
[M+HCOO]- 478.18445 227.5
[M+CH3COO]- 492.20010 253.6
[M+Na-2H]- 454.16092 210.7
[M]+ 433.18570 205.4
[M]- 433.18680 205.4
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