CID 3076982

Brn 4275223

Structural Information

Molecular Formula
C19H23N3O6
SMILES
CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)NOC(C)C
InChI
InChI=1S/C19H23N3O6/c1-10(2)28-21-18(23)15-11(3)20-12(4)16(19(24)27-5)17(15)13-7-6-8-14(9-13)22(25)26/h6-10,17,20H,1-5H3,(H,21,23)
InChIKey
KBCOFDSGMIMDKQ-UHFFFAOYSA-N
Compound name
methyl 2,6-dimethyl-4-(3-nitrophenyl)-5-(propan-2-yloxycarbamoyl)-1,4-dihydropyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.1587 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.16598 189.2
[M+Na]+ 412.14792 193.1
[M-H]- 388.15142 193.3
[M+NH4]+ 407.19252 197.3
[M+K]+ 428.12186 186.9
[M+H-H2O]+ 372.15596 184.8
[M+HCOO]- 434.15690 207.7
[M+CH3COO]- 448.17255 217.5
[M+Na-2H]- 410.13337 189.1
[M]+ 389.15815 189.2
[M]- 389.15925 189.2
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.