CID 135888076

88701-52-4

Structural Information

Molecular Formula
C25H21Cl2N3O
SMILES
C1=CC=C2C(=C1)C(=CN2)C=NC3=CC=C(C=C3)C(=O)CCNCC4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C25H21Cl2N3O/c26-20-8-5-18(23(27)13-20)14-28-12-11-25(31)17-6-9-21(10-7-17)29-15-19-16-30-24-4-2-1-3-22(19)24/h1-10,13,15-16,28,30H,11-12,14H2
InChIKey
PNSJSZRBEBQSII-UHFFFAOYSA-N
Compound name
3-[(2,4-dichlorophenyl)methylamino]-1-[4-(1H-indol-3-ylmethylideneamino)phenyl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.10617 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.11345 209.0
[M+Na]+ 472.09539 217.4
[M-H]- 448.09889 217.3
[M+NH4]+ 467.13999 219.9
[M+K]+ 488.06933 207.2
[M+H-H2O]+ 432.10343 199.1
[M+HCOO]- 494.10437 223.1
[M+CH3COO]- 508.12002 217.5
[M+Na-2H]- 470.08084 210.2
[M]+ 449.10562 214.2
[M]- 449.10672 214.2
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

No patent data available for this compound.