CID 54037829

4,4'-diaminochalcone

Structural Information

Molecular Formula
C15H14N2O
SMILES
C1=CC(=CC=C1C=CC(=O)C2=CC=C(C=C2)N)N
InChI
InChI=1S/C15H14N2O/c16-13-6-1-11(2-7-13)3-10-15(18)12-4-8-14(17)9-5-12/h1-10H,16-17H2
InChIKey
LKFKFNXPGMGBIS-UHFFFAOYSA-N
Compound name
1,3-bis(4-aminophenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

238.11061 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.11789 154.8
[M+Na]+ 261.09983 161.6
[M-H]- 237.10333 160.7
[M+NH4]+ 256.14443 171.2
[M+K]+ 277.07377 156.5
[M+H-H2O]+ 221.10787 147.2
[M+HCOO]- 283.10881 179.3
[M+CH3COO]- 297.12446 196.6
[M+Na-2H]- 259.08528 158.3
[M]+ 238.11006 151.0
[M]- 238.11116 151.0
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

patents stripe