CID 3045956

Brn 0900263

Structural Information

Molecular Formula
C21H21N3O2
SMILES
COC1=CC2=C(C=C1)NC=C2CC3C4=C(CCN3)C5=C(N4)C=CC(=C5)O
InChI
InChI=1S/C21H21N3O2/c1-26-14-3-5-18-16(10-14)12(11-23-18)8-20-21-15(6-7-22-20)17-9-13(25)2-4-19(17)24-21/h2-5,9-11,20,22-25H,6-8H2,1H3
InChIKey
LWCWZJHVEYXSKP-UHFFFAOYSA-N
Compound name
1-[(5-methoxy-1H-indol-3-yl)methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.1634 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.17068 180.7
[M+Na]+ 370.15262 190.4
[M-H]- 346.15612 182.6
[M+NH4]+ 365.19722 194.1
[M+K]+ 386.12656 181.2
[M+H-H2O]+ 330.16066 172.8
[M+HCOO]- 392.16160 193.9
[M+CH3COO]- 406.17725 189.7
[M+Na-2H]- 368.13807 182.6
[M]+ 347.16285 179.6
[M]- 347.16395 179.6
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