CID 367675

Nsc637606

Structural Information

Molecular Formula
C31H34N4O4
SMILES
CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2OC)C3=CC=C(C=C3)N(C)C)C(=O)NC4=CC=CC=C4OC
InChI
InChI=1S/C31H34N4O4/c1-19-27(30(36)33-23-11-7-9-13-25(23)38-5)29(21-15-17-22(18-16-21)35(3)4)28(20(2)32-19)31(37)34-24-12-8-10-14-26(24)39-6/h7-18,29,32H,1-6H3,(H,33,36)(H,34,37)
InChIKey
JWSRXQLLLYCHGB-UHFFFAOYSA-N
Compound name
4-[4-(dimethylamino)phenyl]-3-N,5-N-bis(2-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

526.258 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 527.26528 232.2
[M+Na]+ 549.24722 235.0
[M-H]- 525.25072 243.2
[M+NH4]+ 544.29182 234.8
[M+K]+ 565.22116 231.0
[M+H-H2O]+ 509.25526 218.9
[M+HCOO]- 571.25620 251.1
[M+CH3COO]- 585.27185 259.7
[M+Na-2H]- 547.23267 229.0
[M]+ 526.25745 233.6
[M]- 526.25855 233.6
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.