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]+ 390.165976 189.2
[M+Na]+ 412.147918 193.1
[M-H]- 388.151424 193.3
[M+NH4]+ 407.192523 197.3
[M+K]+ 428.121858 186.9
[M+H-H2O]+ 372.155960 184.8
[M+HCOO]- 434.156901 207.7
[M+CH3COO]- 448.172551 217.5
[M+Na-2H]- 410.133366 189.1
[M]+ 389.15815142 189.2
[M]- 389.15924858 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.