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

92
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 195.5
[M+Na]+ 403.17809 203.0
[M-H]- 379.18159 203.8
[M+NH4]+ 398.22269 207.6
[M+K]+ 419.15203 194.8
[M+H-H2O]+ 363.18613 183.6
[M+HCOO]- 425.18707 212.9
[M+CH3COO]- 439.20272 204.6
[M+Na-2H]- 401.16354 197.8
[M]+ 380.18832 196.1
[M]- 380.18942 196.1
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

patents stripe