CID 376964

Nsc658164

Structural Information

Molecular Formula
C25H26N2O4
SMILES
CCN1C2=CC=CC=C2C3=C1C=C(C=C3)C4C(=C(NC(=C4C(=O)OC)C)C)C(=O)OC
InChI
InChI=1S/C25H26N2O4/c1-6-27-19-10-8-7-9-17(19)18-12-11-16(13-20(18)27)23-21(24(28)30-4)14(2)26-15(3)22(23)25(29)31-5/h7-13,23,26H,6H2,1-5H3
InChIKey
ZXZAPORIQZKHCR-UHFFFAOYSA-N
Compound name
dimethyl 4-(9-ethylcarbazol-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.18927 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.19655 204.3
[M+Na]+ 441.17849 213.5
[M-H]- 417.18199 209.8
[M+NH4]+ 436.22309 215.5
[M+K]+ 457.15243 207.7
[M+H-H2O]+ 401.18653 195.0
[M+HCOO]- 463.18747 219.6
[M+CH3COO]- 477.20312 228.8
[M+Na-2H]- 439.16394 202.0
[M]+ 418.18872 210.0
[M]- 418.18982 210.0
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.