CID 6052117

Nsc377610

Structural Information

Molecular Formula
C26H22ClN3O
SMILES
CN(C)C1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)NC3=C4C=CC(=CC4=NC=C3)Cl
InChI
InChI=1S/C26H22ClN3O/c1-30(2)22-11-3-18(4-12-22)5-14-26(31)19-6-9-21(10-7-19)29-24-15-16-28-25-17-20(27)8-13-23(24)25/h3-17H,1-2H3,(H,28,29)/b14-5+
InChIKey
KIPHJONDARGREX-LHHJGKSTSA-N
Compound name
(E)-1-[4-[(7-chloroquinolin-4-yl)amino]phenyl]-3-[4-(dimethylamino)phenyl]prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.14514 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.15242 205.3
[M+Na]+ 450.13436 212.1
[M-H]- 426.13786 215.0
[M+NH4]+ 445.17896 215.0
[M+K]+ 466.10830 204.1
[M+H-H2O]+ 410.14240 193.9
[M+HCOO]- 472.14334 222.4
[M+CH3COO]- 486.15899 214.0
[M+Na-2H]- 448.11981 208.2
[M]+ 427.14459 208.1
[M]- 427.14569 208.1
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.