CID 104232

Einecs 257-999-3

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 209.8
[M+Na]+ 463.17004 213.6
[M-H]- 439.17354 217.0
[M+NH4]+ 458.21464 216.7
[M+K]+ 479.14398 208.8
[M+H-H2O]+ 423.17808 195.9
[M+HCOO]- 485.17902 234.2
[M+CH3COO]- 499.19467 248.0
[M+Na-2H]- 461.15549 211.9
[M]+ 440.18027 208.4
[M]- 440.18137 208.4
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