CID 5902946

Nsc53181

Structural Information

Molecular Formula
C20H20N2
SMILES
CC1=C(C=CC(=C1)/C=C/C2=CC=NC3=CC=CC=C23)N(C)C
InChI
InChI=1S/C20H20N2/c1-15-14-16(9-11-20(15)22(2)3)8-10-17-12-13-21-19-7-5-4-6-18(17)19/h4-14H,1-3H3/b10-8+
InChIKey
TUPQBSLRXTUYJD-CSKARUKUSA-N
Compound name
N,N,2-trimethyl-4-[(E)-2-quinolin-4-ylethenyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.16266 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.16994 170.2
[M+Na]+ 311.15188 178.0
[M-H]- 287.15538 177.6
[M+NH4]+ 306.19648 185.9
[M+K]+ 327.12582 172.4
[M+H-H2O]+ 271.15992 160.6
[M+HCOO]- 333.16086 192.6
[M+CH3COO]- 347.17651 181.8
[M+Na-2H]- 309.13733 175.6
[M]+ 288.16211 171.3
[M]- 288.16321 171.3
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.