CID 326837

76973-35-8

Structural Information

Molecular Formula
C20H15ClN4O
SMILES
CC1=NN(C2=C1C(C(=C(O2)N)C#N)C3=CC=C(C=C3)Cl)C4=CC=CC=C4
InChI
InChI=1S/C20H15ClN4O/c1-12-17-18(13-7-9-14(21)10-8-13)16(11-22)19(23)26-20(17)25(24-12)15-5-3-2-4-6-15/h2-10,18H,23H2,1H3
InChIKey
WSQBOKWKTHPMRX-UHFFFAOYSA-N
Compound name
6-amino-4-(4-chlorophenyl)-3-methyl-1-phenyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

362.09344 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.10072 190.5
[M+Na]+ 385.08266 203.6
[M-H]- 361.08616 196.2
[M+NH4]+ 380.12726 200.7
[M+K]+ 401.05660 193.8
[M+H-H2O]+ 345.09070 174.1
[M+HCOO]- 407.09164 201.9
[M+CH3COO]- 421.10729 199.1
[M+Na-2H]- 383.06811 190.7
[M]+ 362.09289 187.1
[M]- 362.09399 187.1
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.