CID 3086984

2h-pyrido(4,3-b)carbazole-2-propanol, 1,3,4,4a,5,6,11,11a-octahydro-alpha-methyl-

Structural Information

Molecular Formula
C19H26N2O
SMILES
CC(CCN1CCC2CC3=C(CC2C1)C4=CC=CC=C4N3)O
InChI
InChI=1S/C19H26N2O/c1-13(22)6-8-21-9-7-14-11-19-17(10-15(14)12-21)16-4-2-3-5-18(16)20-19/h2-5,13-15,20,22H,6-12H2,1H3
InChIKey
BCTBDPVYGWFFMG-UHFFFAOYSA-N
Compound name
4-(1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazol-2-yl)butan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.2045 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.21178 172.6
[M+Na]+ 321.19372 178.0
[M-H]- 297.19722 172.3
[M+NH4]+ 316.23832 188.5
[M+K]+ 337.16766 171.1
[M+H-H2O]+ 281.20176 164.4
[M+HCOO]- 343.20270 182.9
[M+CH3COO]- 357.21835 180.9
[M+Na-2H]- 319.17917 174.2
[M]+ 298.20395 167.9
[M]- 298.20505 167.9
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.