CID 6447105

71160-15-1

Structural Information

Molecular Formula
C17H18N2O7
SMILES
CC1=C(C(C(=C(N1)C)C(=O)OC)/C=C/C2=CC=C(O2)[N+](=O)[O-])C(=O)OC
InChI
InChI=1S/C17H18N2O7/c1-9-14(16(20)24-3)12(15(10(2)18-9)17(21)25-4)7-5-11-6-8-13(26-11)19(22)23/h5-8,12,18H,1-4H3/b7-5+
InChIKey
XDFZEFNGTBHXCX-FNORWQNLSA-N
Compound name
dimethyl 2,6-dimethyl-4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.1114 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.11868 182.6
[M+Na]+ 385.10062 188.8
[M-H]- 361.10412 188.1
[M+NH4]+ 380.14522 192.9
[M+K]+ 401.07456 183.1
[M+H-H2O]+ 345.10866 179.7
[M+HCOO]- 407.10960 202.1
[M+CH3COO]- 421.12525 206.3
[M+Na-2H]- 383.08607 183.1
[M]+ 362.11085 185.2
[M]- 362.11195 185.2
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.