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]+ 329.20122 182.1
[M+Na]+ 351.18316 185.8
[M-H]- 327.18666 183.9
[M+NH4]+ 346.22776 193.7
[M+K]+ 367.15710 175.9
[M+H-H2O]+ 311.19120 171.0
[M+HCOO]- 373.19214 193.3
[M+CH3COO]- 387.20779 188.9
[M+Na-2H]- 349.16861 185.3
[M]+ 328.19339 173.1
[M]- 328.19449 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.