CID 3528661

6-amino-4-(4-methoxyphenyl)-1,3-diphenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Structural Information

Molecular Formula
C26H20N4O2
SMILES
COC1=CC=C(C=C1)C2C(=C(OC3=C2C(=NN3C4=CC=CC=C4)C5=CC=CC=C5)N)C#N
InChI
InChI=1S/C26H20N4O2/c1-31-20-14-12-17(13-15-20)22-21(16-27)25(28)32-26-23(22)24(18-8-4-2-5-9-18)29-30(26)19-10-6-3-7-11-19/h2-15,22H,28H2,1H3
InChIKey
OOCJZFSWSZJDAT-UHFFFAOYSA-N
Compound name
6-amino-4-(4-methoxyphenyl)-1,3-diphenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

420.15863 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.165906 207.3
[M+Na]+ 443.147848 218.1
[M-H]- 419.151354 214.8
[M+NH4]+ 438.192453 213.4
[M+K]+ 459.121788 208.0
[M+H-H2O]+ 403.155890 188.7
[M+HCOO]- 465.156831 221.8
[M+CH3COO]- 479.172481 214.1
[M+Na-2H]- 441.133296 206.8
[M]+ 420.15808142 202.0
[M]- 420.15917858 202.0
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

patents stripe