CID 3507390

6-amino-1-phenyl-3-propyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Structural Information

Molecular Formula
C25H26N4O4
SMILES
CCCC1=NN(C2=C1C(C(=C(O2)N)C#N)C3=CC(=C(C(=C3)OC)OC)OC)C4=CC=CC=C4
InChI
InChI=1S/C25H26N4O4/c1-5-9-18-22-21(15-12-19(30-2)23(32-4)20(13-15)31-3)17(14-26)24(27)33-25(22)29(28-18)16-10-7-6-8-11-16/h6-8,10-13,21H,5,9,27H2,1-4H3
InChIKey
YMRRZKAFBFZPTE-UHFFFAOYSA-N
Compound name
6-amino-1-phenyl-3-propyl-4-(3,4,5-trimethoxyphenyl)-4H-pyrano[2,3-c]pyrazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.1954 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.20268 209.7
[M+Na]+ 469.18462 220.4
[M-H]- 445.18812 215.6
[M+NH4]+ 464.22922 216.0
[M+K]+ 485.15856 213.8
[M+H-H2O]+ 429.19266 192.2
[M+HCOO]- 491.19360 224.1
[M+CH3COO]- 505.20925 244.0
[M+Na-2H]- 467.17007 207.4
[M]+ 446.19485 210.0
[M]- 446.19595 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.