CID 104232

52549-57-2

Structural Information

Molecular Formula
C21H24N6O5
SMILES
CC(=O)NC1=C(C=CC(=C1)N(CCOC)CCOC)N=NC2=C(C=C(C=C2)[N+](=O)[O-])C#N
InChI
InChI=1S/C21H24N6O5/c1-15(28)23-21-13-17(26(8-10-31-2)9-11-32-3)4-7-20(21)25-24-19-6-5-18(27(29)30)12-16(19)14-22/h4-7,12-13H,8-11H2,1-3H3,(H,23,28)
InChIKey
DMMDCPMHDXAIRV-UHFFFAOYSA-N
Compound name
N-[5-[bis(2-methoxyethyl)amino]-2-[(2-cyano-4-nitrophenyl)diazenyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

559
Patents

440.18082 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.18810 207.1
[M+Na]+ 463.17004 215.9
[M+NH4]+ 458.21464 208.0
[M+K]+ 479.14398 209.1
[M-H]- 439.17354 205.3
[M+Na-2H]- 461.15549 209.3
[M]+ 440.18027 206.6
[M]- 440.18137 206.6
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

patents stripe