CID 2873899

360789-86-2

Structural Information

Molecular Formula
C30H32N4O8
SMILES
CC1=C(C(C(=C(N1)C)C(=O)OCCOC)C2=CN(N=C2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)C(=O)OCCOC
InChI
InChI=1S/C30H32N4O8/c1-19-25(29(35)41-16-14-39-3)27(26(20(2)31-19)30(36)42-17-15-40-4)24-18-33(22-8-6-5-7-9-22)32-28(24)21-10-12-23(13-11-21)34(37)38/h5-13,18,27,31H,14-17H2,1-4H3
InChIKey
MQGBKASKYRWTKV-UHFFFAOYSA-N
Compound name
bis(2-methoxyethyl) 2,6-dimethyl-4-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

576.222 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 577.22928 237.7
[M+Na]+ 599.21122 239.1
[M-H]- 575.21472 245.4
[M+NH4]+ 594.25582 236.0
[M+K]+ 615.18516 231.3
[M+H-H2O]+ 559.21926 228.6
[M+HCOO]- 621.22020 252.4
[M+CH3COO]- 635.23585 247.8
[M+Na-2H]- 597.19667 235.2
[M]+ 576.22145 241.5
[M]- 576.22255 241.5
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.