CID 109098

61556-47-6

Structural Information

Molecular Formula
C22H26N6O4
SMILES
CCCCNC(=O)OCCN(CCC#N)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C22H26N6O4/c1-2-3-14-24-22(29)32-17-16-27(15-4-13-23)20-9-5-18(6-10-20)25-26-19-7-11-21(12-8-19)28(30)31/h5-12H,2-4,14-17H2,1H3,(H,24,29)
InChIKey
WFDRYDMTWFOSCK-UHFFFAOYSA-N
Compound name
2-[N-(2-cyanoethyl)-4-[(4-nitrophenyl)diazenyl]anilino]ethyl N-butylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.20154 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.20882 210.2
[M+Na]+ 461.19076 218.6
[M+NH4]+ 456.23536 211.4
[M+K]+ 477.16470 210.7
[M-H]- 437.19426 208.7
[M+Na-2H]- 459.17621 212.8
[M]+ 438.20099 209.6
[M]- 438.20209 209.6
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.