CID 14095023

73384-66-4

Structural Information

Molecular Formula
C23H24ClN5O8
SMILES
CCOC(=O)OCCN(CCOC(=O)OCC)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)Cl
InChI
InChI=1S/C23H24ClN5O8/c1-3-34-22(30)36-11-9-28(10-12-37-23(31)35-4-2)17-5-8-21(19(24)14-17)27-26-20-7-6-18(29(32)33)13-16(20)15-25/h5-8,13-14H,3-4,9-12H2,1-2H3
InChIKey
OZPWXOCUMJVGST-UHFFFAOYSA-N
Compound name
2-[3-chloro-4-[(2-cyano-4-nitrophenyl)diazenyl]-N-(2-ethoxycarbonyloxyethyl)anilino]ethyl ethyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

533.13135 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 534.13863 227.5
[M+Na]+ 556.12057 231.5
[M-H]- 532.12407 234.5
[M+NH4]+ 551.16517 232.1
[M+K]+ 572.09451 226.8
[M+H-H2O]+ 516.12861 214.6
[M+HCOO]- 578.12955 246.5
[M+CH3COO]- 592.14520 255.2
[M+Na-2H]- 554.10602 227.8
[M]+ 533.13080 231.8
[M]- 533.13190 231.8
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.