CID 57351062

Methyl 2-[2-(1,5-dihydro-3-methyl-5-oxo-1-phenyl-4h-pyrazol-4-ylidene)ethylidene]-2,3-dihydro-1,3,3-trimethyl-1h-indole-5-carboxylate

Structural Information

Molecular Formula
C25H25N3O3
SMILES
CC1=NN(C(=O)C1=CC=C2C(C3=C(N2C)C=CC(=C3)C(=O)OC)(C)C)C4=CC=CC=C4
InChI
InChI=1S/C25H25N3O3/c1-16-19(23(29)28(26-16)18-9-7-6-8-10-18)12-14-22-25(2,3)20-15-17(24(30)31-5)11-13-21(20)27(22)4/h6-15H,1-5H3
InChIKey
GSYLGDNZCGXCAQ-UHFFFAOYSA-N
Compound name
methyl 1,3,3-trimethyl-2-[2-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)ethylidene]indole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

415.1896 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.19688 202.3
[M+Na]+ 438.17882 212.2
[M-H]- 414.18232 210.3
[M+NH4]+ 433.22342 215.6
[M+K]+ 454.15276 205.4
[M+H-H2O]+ 398.18686 193.1
[M+HCOO]- 460.18780 219.0
[M+CH3COO]- 474.20345 226.8
[M+Na-2H]- 436.16427 197.3
[M]+ 415.18905 205.3
[M]- 415.19015 205.3
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