CID 166385

Einecs 277-153-7

Structural Information

Molecular Formula
C22H23N5O8
SMILES
CC1=C(C=CC(=C1)N(CCOC(=O)OC)CCOC(=O)OC)N=NC2=C(C=C(C=C2)[N+](=O)[O-])C#N
InChI
InChI=1S/C22H23N5O8/c1-15-12-17(26(8-10-34-21(28)32-2)9-11-35-22(29)33-3)4-6-19(15)24-25-20-7-5-18(27(30)31)13-16(20)14-23/h4-7,12-13H,8-11H2,1-3H3
InChIKey
DKEKZBAMMFOUGD-UHFFFAOYSA-N
Compound name
2-[4-[(2-cyano-4-nitrophenyl)diazenyl]-N-(2-methoxycarbonyloxyethyl)-3-methylanilino]ethyl methyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

485.15466 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.16194 211.0
[M+Na]+ 508.14388 219.2
[M+NH4]+ 503.18848 210.4
[M+K]+ 524.11782 214.2
[M-H]- 484.14738 207.4
[M+Na-2H]- 506.12933 212.1
[M]+ 485.15411 209.7
[M]- 485.15521 209.7
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