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

literature stripe

Patent stripe

patents stripe