CID 5044442

103553-48-6

Structural Information

Molecular Formula
C20H22N4O4
SMILES
CCN(CCOC(=O)C(=C)C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C20H22N4O4/c1-4-23(13-14-28-20(25)15(2)3)18-9-5-16(6-10-18)21-22-17-7-11-19(12-8-17)24(26)27/h5-12H,2,4,13-14H2,1,3H3
InChIKey
MHYWMAUCJNDHPY-UHFFFAOYSA-N
Compound name
2-[N-ethyl-4-[(4-nitrophenyl)diazenyl]anilino]ethyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

238
Patents

382.1641 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.17138 189.7
[M+Na]+ 405.15332 200.3
[M+NH4]+ 400.19792 195.1
[M+K]+ 421.12726 196.7
[M-H]- 381.15682 195.8
[M+Na-2H]- 403.13877 196.7
[M]+ 382.16355 192.5
[M]- 382.16465 192.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe