CID 365296

Nsc632847

Structural Information

Molecular Formula
C22H23N5O2
SMILES
CCOC(=O)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)N(CCC#N)CCC#N)C
InChI
InChI=1S/C22H23N5O2/c1-3-29-22(28)18-6-8-19(9-7-18)25-26-21-11-10-20(16-17(21)2)27(14-4-12-23)15-5-13-24/h6-11,16H,3-5,14-15H2,1-2H3
InChIKey
DXZDIMFXDBISEA-UHFFFAOYSA-N
Compound name
ethyl 4-[[4-[bis(2-cyanoethyl)amino]-2-methylphenyl]diazenyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.18518 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.19246 198.6
[M+Na]+ 412.17440 205.6
[M-H]- 388.17790 204.0
[M+NH4]+ 407.21900 205.9
[M+K]+ 428.14834 201.4
[M+H-H2O]+ 372.18244 179.9
[M+HCOO]- 434.18338 212.9
[M+CH3COO]- 448.19903 249.8
[M+Na-2H]- 410.15985 197.0
[M]+ 389.18463 193.4
[M]- 389.18573 193.4
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

No patent data available for this compound.