CID 2835017

53316-59-9

Structural Information

Molecular Formula
C21H18N4O
SMILES
CC1=CC=C(C=C1)C2C(=C(OC3=C2C(=NN3C4=CC=CC=C4)C)N)C#N
InChI
InChI=1S/C21H18N4O/c1-13-8-10-15(11-9-13)19-17(12-22)20(23)26-21-18(19)14(2)24-25(21)16-6-4-3-5-7-16/h3-11,19H,23H2,1-2H3
InChIKey
LDHHDFFSJYOKLK-UHFFFAOYSA-N
Compound name
6-amino-3-methyl-4-(4-methylphenyl)-1-phenyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

342.14807 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.15535 187.4
[M+Na]+ 365.13729 202.6
[M+NH4]+ 360.18189 191.9
[M+K]+ 381.11123 192.7
[M-H]- 341.14079 187.2
[M+Na-2H]- 363.12274 192.0
[M]+ 342.14752 188.9
[M]- 342.14862 188.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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