CID 471282

Chembl19842

Structural Information

Molecular Formula
C20H21N3O2
SMILES
CN1C2=CC=CC=C2C3=C4C(=C(C=C31)OC)C=CN=C4NCCCO
InChI
InChI=1S/C20H21N3O2/c1-23-15-7-4-3-6-13(15)18-16(23)12-17(25-2)14-8-10-22-20(19(14)18)21-9-5-11-24/h3-4,6-8,10,12,24H,5,9,11H2,1-2H3,(H,21,22)
InChIKey
HXZIKQPFJWRCJS-UHFFFAOYSA-N
Compound name
3-[(5-methoxy-7-methylpyrido[4,3-c]carbazol-1-yl)amino]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

335.1634 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.17068 179.4
[M+Na]+ 358.15262 190.8
[M-H]- 334.15612 183.1
[M+NH4]+ 353.19722 195.1
[M+K]+ 374.12656 184.0
[M+H-H2O]+ 318.16066 170.6
[M+HCOO]- 380.16160 200.2
[M+CH3COO]- 394.17725 190.6
[M+Na-2H]- 356.13807 186.5
[M]+ 335.16285 186.2
[M]- 335.16395 186.2
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.