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

242
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 191.6
[M+Na]+ 405.15332 193.9
[M-H]- 381.15682 201.3
[M+NH4]+ 400.19792 202.6
[M+K]+ 421.12726 188.8
[M+H-H2O]+ 365.16136 185.4
[M+HCOO]- 427.16230 220.0
[M+CH3COO]- 441.17795 228.4
[M+Na-2H]- 403.13877 195.3
[M]+ 382.16355 194.0
[M]- 382.16465 194.0
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