CID 3021333

3-(ethyl(4-methylphenyl)amino)-1-(4-((1h-indol-3-ylmethylene)amino)phenyl)-1-propanone

Structural Information

Molecular Formula
C27H27N3O
SMILES
CCN(CCC(=O)C1=CC=C(C=C1)N=CC2=CNC3=CC=CC=C32)C4=CC=C(C=C4)C
InChI
InChI=1S/C27H27N3O/c1-3-30(24-14-8-20(2)9-15-24)17-16-27(31)21-10-12-23(13-11-21)28-18-22-19-29-26-7-5-4-6-25(22)26/h4-15,18-19,29H,3,16-17H2,1-2H3
InChIKey
PCSJZFRBDRSSCV-UHFFFAOYSA-N
Compound name
3-(N-ethyl-4-methylanilino)-1-[4-(1H-indol-3-ylmethylideneamino)phenyl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.21542 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.22270 202.9
[M+Na]+ 432.20464 208.3
[M-H]- 408.20814 213.2
[M+NH4]+ 427.24924 214.2
[M+K]+ 448.17858 201.4
[M+H-H2O]+ 392.21268 191.6
[M+HCOO]- 454.21362 226.6
[M+CH3COO]- 468.22927 212.1
[M+Na-2H]- 430.19009 204.6
[M]+ 409.21487 205.4
[M]- 409.21597 205.4
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

No patent data available for this compound.