CID 415979

Nsc74823

Structural Information

Molecular Formula
C20H20ClN3O
SMILES
CC(C=C)NCC1=C(C=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)O
InChI
InChI=1S/C20H20ClN3O/c1-3-13(2)23-12-14-10-16(5-7-20(14)25)24-18-8-9-22-19-11-15(21)4-6-17(18)19/h3-11,13,23,25H,1,12H2,2H3,(H,22,24)
InChIKey
DCRWHRJCJMPABX-UHFFFAOYSA-N
Compound name
2-[(but-3-en-2-ylamino)methyl]-4-[(7-chloroquinolin-4-yl)amino]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.1295 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.13678 183.8
[M+Na]+ 376.11872 191.3
[M-H]- 352.12222 188.4
[M+NH4]+ 371.16332 196.1
[M+K]+ 392.09266 183.3
[M+H-H2O]+ 336.12676 175.3
[M+HCOO]- 398.12770 199.8
[M+CH3COO]- 412.14335 218.3
[M+Na-2H]- 374.10417 187.8
[M]+ 353.12895 185.1
[M]- 353.13005 185.1
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.