CID 10021411

74936-69-9

Structural Information

Molecular Formula
C18H20N2O6
SMILES
CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C18H20N2O6/c1-9(2)26-18(23)15-11(4)19-10(3)14(17(21)22)16(15)12-6-5-7-13(8-12)20(24)25/h5-9,16,19H,1-4H3,(H,21,22)
InChIKey
QQEOWRHUXVDVJC-UHFFFAOYSA-N
Compound name
2,6-dimethyl-4-(3-nitrophenyl)-5-propan-2-yloxycarbonyl-1,4-dihydropyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

360.13214 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.13942 180.5
[M+Na]+ 383.12136 185.4
[M-H]- 359.12486 183.5
[M+NH4]+ 378.16596 189.4
[M+K]+ 399.09530 178.5
[M+H-H2O]+ 343.12940 177.0
[M+HCOO]- 405.13034 196.9
[M+CH3COO]- 419.14599 207.6
[M+Na-2H]- 381.10681 179.9
[M]+ 360.13159 179.3
[M]- 360.13269 179.3
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.