CID 16727326

Ht-61

Structural Information

Molecular Formula
C26H24N2O
SMILES
CC1=C2CCN(C2=C3C=C(C=CC3=N1)OC4=CC=CC=C4)CCC5=CC=CC=C5
InChI
InChI=1S/C26H24N2O/c1-19-23-15-17-28(16-14-20-8-4-2-5-9-20)26(23)24-18-22(12-13-25(24)27-19)29-21-10-6-3-7-11-21/h2-13,18H,14-17H2,1H3
InChIKey
XCZMUTGHJBFKPM-UHFFFAOYSA-N
Compound name
4-methyl-8-phenoxy-1-(2-phenylethyl)-2,3-dihydropyrrolo[3,2-c]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

380.18887 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.19615 196.2
[M+Na]+ 403.17809 214.2
[M+NH4]+ 398.22269 205.9
[M+K]+ 419.15203 204.3
[M-H]- 379.18159 204.1
[M+Na-2H]- 401.16354 206.2
[M]+ 380.18832 201.4
[M]- 380.18942 201.4
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

patents stripe