CID 16451230

890643-16-0

Structural Information

Molecular Formula
C25H25N3O
SMILES
C1=CC=C2C(=C1)C(=CN2)CCNCC(CN3C4=CC=CC=C4C5=CC=CC=C53)O
InChI
InChI=1S/C25H25N3O/c29-19(16-26-14-13-18-15-27-23-10-4-1-7-20(18)23)17-28-24-11-5-2-8-21(24)22-9-3-6-12-25(22)28/h1-12,15,19,26-27,29H,13-14,16-17H2
InChIKey
LJWMTSMUQJNHOC-UHFFFAOYSA-N
Compound name
1-carbazol-9-yl-3-[2-(1H-indol-3-yl)ethylamino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

18
Patents

383.19977 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.207046 189.9
[M+Na]+ 406.188988 197.6
[M-H]- 382.192494 195.0
[M+NH4]+ 401.233593 203.7
[M+K]+ 422.162928 188.9
[M+H-H2O]+ 366.197030 181.0
[M+HCOO]- 428.197971 208.7
[M+CH3COO]- 442.213621 199.0
[M+Na-2H]- 404.174436 193.7
[M]+ 383.19922142 192.3
[M]- 383.20031858 192.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe