CID 6078412

53-98-5

Structural Information

Molecular Formula
C17H15N3
SMILES
C1=CC=C2C(=C1)C(=CC=N2)/C=C/C3=C(C=C(C=C3)N)N
InChI
InChI=1S/C17H15N3/c18-14-8-7-13(16(19)11-14)6-5-12-9-10-20-17-4-2-1-3-15(12)17/h1-11H,18-19H2/b6-5+
InChIKey
CDOBUXAOEVPRNM-AATRIKPKSA-N
Compound name
4-[(E)-2-quinolin-4-ylethenyl]benzene-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.1266 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.13388 160.6
[M+Na]+ 284.11582 169.0
[M-H]- 260.11932 166.2
[M+NH4]+ 279.16042 176.1
[M+K]+ 300.08976 162.0
[M+H-H2O]+ 244.12386 151.9
[M+HCOO]- 306.12480 183.5
[M+CH3COO]- 320.14045 172.0
[M+Na-2H]- 282.10127 167.1
[M]+ 261.12605 157.1
[M]- 261.12715 157.1
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.