CID 135466552

1h-pyrrole-1-acetic acid, 3-(ethoxycarbonyl)-2,4-dimethyl-5-phenyl-, [(3z)-1,2-dihydro-2-oxo-3h-indol-3-ylidene]hydrazide

Structural Information

Molecular Formula
C25H24N4O4
SMILES
CCOC(=O)C1=C(N(C(=C1C)C2=CC=CC=C2)CC(=O)N=NC3=C(NC4=CC=CC=C43)O)C
InChI
InChI=1S/C25H24N4O4/c1-4-33-25(32)21-15(2)23(17-10-6-5-7-11-17)29(16(21)3)14-20(30)27-28-22-18-12-8-9-13-19(18)26-24(22)31/h5-13,26,31H,4,14H2,1-3H3
InChIKey
QVZUZJBWLBDGHW-UHFFFAOYSA-N
Compound name
ethyl 1-[2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-2-oxoethyl]-2,4-dimethyl-5-phenylpyrrole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

444.17975 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.18703 207.3
[M+Na]+ 467.16897 215.1
[M-H]- 443.17247 217.4
[M+NH4]+ 462.21357 217.8
[M+K]+ 483.14291 210.2
[M+H-H2O]+ 427.17701 197.6
[M+HCOO]- 489.17795 230.5
[M+CH3COO]- 503.19360 236.4
[M+Na-2H]- 465.15442 205.7
[M]+ 444.17920 213.5
[M]- 444.18030 213.5
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

No patent data available for this compound.