CID 10604

Forbisen

Structural Information

Molecular Formula
C22H22N4O2
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C3=C(N(N(C3=O)C4=CC=CC=C4)C)C
InChI
InChI=1S/C22H22N4O2/c1-15-19(21(27)25(23(15)3)17-11-7-5-8-12-17)20-16(2)24(4)26(22(20)28)18-13-9-6-10-14-18/h5-14H,1-4H3
InChIKey
ANYXUEIQQWKBQV-UHFFFAOYSA-N
Compound name
4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,5-dimethyl-2-phenylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

374.1743 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.181576 190.0
[M+Na]+ 397.163518 203.7
[M-H]- 373.167024 200.7
[M+NH4]+ 392.208123 201.0
[M+K]+ 413.137458 196.3
[M+H-H2O]+ 357.171560 179.3
[M+HCOO]- 419.172501 212.3
[M+CH3COO]- 433.188151 201.9
[M+Na-2H]- 395.148966 187.3
[M]+ 374.17375142 196.2
[M]- 374.17484858 196.2
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

patents stripe