CID 11490048

Benzeneacetamide, n-[4-[6-amino-5-cyano-4-(3,4,5-trimethoxyphenyl)-4h-pyran-2-yl]phenyl]-4-chloro-a-(1-methylethyl)-

Structural Information

Molecular Formula
C32H32ClN3O5
SMILES
CC(C)C(C1=CC=C(C=C1)Cl)C(=O)NC2=CC=C(C=C2)C3=CC(C(=C(O3)N)C#N)C4=CC(=C(C(=C4)OC)OC)OC
InChI
InChI=1S/C32H32ClN3O5/c1-18(2)29(20-6-10-22(33)11-7-20)32(37)36-23-12-8-19(9-13-23)26-16-24(25(17-34)31(35)41-26)21-14-27(38-3)30(40-5)28(15-21)39-4/h6-16,18,24,29H,35H2,1-5H3,(H,36,37)
InChIKey
DGIVVTKMAJKDQR-UHFFFAOYSA-N
Compound name
N-[4-[6-amino-5-cyano-4-(3,4,5-trimethoxyphenyl)-4H-pyran-2-yl]phenyl]-2-(4-chlorophenyl)-3-methylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

573.20306 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 574.21034 248.6
[M+Na]+ 596.19228 256.1
[M-H]- 572.19578 257.7
[M+NH4]+ 591.23688 249.9
[M+K]+ 612.16622 250.2
[M+H-H2O]+ 556.20032 231.0
[M+HCOO]- 618.20126 258.4
[M+CH3COO]- 632.21691 267.0
[M+Na-2H]- 594.17773 241.5
[M]+ 573.20251 249.0
[M]- 573.20361 249.0
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.