CID 1523963

421580-70-3

Structural Information

Molecular Formula
C22H29NO4
SMILES
CC1=CC=C(C=C1)C2C(=C(NC(=C2C(=O)OC(C)C)C)C)C(=O)OC(C)C
InChI
InChI=1S/C22H29NO4/c1-12(2)26-21(24)18-15(6)23-16(7)19(22(25)27-13(3)4)20(18)17-10-8-14(5)9-11-17/h8-13,20,23H,1-7H3
InChIKey
VAAMGVDCKKKIJU-UHFFFAOYSA-N
Compound name
dipropan-2-yl 2,6-dimethyl-4-(4-methylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

371.20966 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.21694 189.4
[M+Na]+ 394.19888 194.9
[M-H]- 370.20238 193.4
[M+NH4]+ 389.24348 199.9
[M+K]+ 410.17282 192.1
[M+H-H2O]+ 354.20692 181.2
[M+HCOO]- 416.20786 204.0
[M+CH3COO]- 430.22351 221.4
[M+Na-2H]- 392.18433 184.0
[M]+ 371.20911 192.3
[M]- 371.21021 192.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.