CID 6857968

72017-52-8

Structural Information

Molecular Formula
C23H24N2
SMILES
C1CC2=CC=CC=C2N(C1)/C=C/C=C/C=C\3/C4=CC=CC=C4CCN3
InChI
InChI=1S/C23H24N2/c1(2-13-22-21-12-5-3-9-19(21)15-16-24-22)7-17-25-18-8-11-20-10-4-6-14-23(20)25/h1-7,9-10,12-14,17,24H,8,11,15-16,18H2/b2-1+,17-7+,22-13-
InChIKey
OTDVUUVULDOLAW-AWCYGHERSA-N
Compound name
(1Z)-1-[(2E,4E)-5-(3,4-dihydro-2H-quinolin-1-yl)penta-2,4-dienylidene]-3,4-dihydro-2H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.19394 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.201216 182.1
[M+Na]+ 351.183158 185.8
[M-H]- 327.186664 183.9
[M+NH4]+ 346.227763 193.7
[M+K]+ 367.157098 175.9
[M+H-H2O]+ 311.191200 171.0
[M+HCOO]- 373.192141 193.3
[M+CH3COO]- 387.207791 188.9
[M+Na-2H]- 349.168606 185.3
[M]+ 328.19339142 173.1
[M]- 328.19448858 173.1
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.