CID 5904454

Nsc278014

Structural Information

Molecular Formula
C24H29N3
SMILES
CCN(CC)CCN(C)C1=CC=C(C=C1)/C=C/C2=CC=NC3=CC=CC=C23
InChI
InChI=1S/C24H29N3/c1-4-27(5-2)19-18-26(3)22-14-11-20(12-15-22)10-13-21-16-17-25-24-9-7-6-8-23(21)24/h6-17H,4-5,18-19H2,1-3H3/b13-10+
InChIKey
JNCZELGWNBJFOE-JLHYYAGUSA-N
Compound name
N',N'-diethyl-N-methyl-N-[4-[(E)-2-quinolin-4-ylethenyl]phenyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.23615 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.24343 192.2
[M+Na]+ 382.22537 196.4
[M-H]- 358.22887 199.7
[M+NH4]+ 377.26997 204.8
[M+K]+ 398.19931 191.2
[M+H-H2O]+ 342.23341 180.9
[M+HCOO]- 404.23435 214.6
[M+CH3COO]- 418.25000 229.3
[M+Na-2H]- 380.21082 195.9
[M]+ 359.23560 194.8
[M]- 359.23670 194.8
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.