CID 776848

117573-89-4

Structural Information

Molecular Formula
C20H19N3O3
SMILES
CC1=NN(C(=O)C1=CC2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)C(=O)O
InChI
InChI=1S/C20H19N3O3/c1-13-18(12-14-4-8-16(9-5-14)22(2)3)19(24)23(21-13)17-10-6-15(7-11-17)20(25)26/h4-12H,1-3H3,(H,25,26)
InChIKey
UULQWQZZJJLJPF-UHFFFAOYSA-N
Compound name
4-[4-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

72
Patents

349.14264 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.14992 183.6
[M+Na]+ 372.13186 196.3
[M+NH4]+ 367.17646 189.0
[M+K]+ 388.10580 192.3
[M-H]- 348.13536 187.5
[M+Na-2H]- 370.11731 190.4
[M]+ 349.14209 186.2
[M]- 349.14319 186.2
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