CID 90852

5a,7a,8-trimethyl-5,5a,5b,6,7,7a,8,9,10,10a,10b,11,12,12a-tetradecahydro-1h-indeno[5,4-f]pyrazolo[1,5-a]quinolin-8-ol

Structural Information

Molecular Formula
C21H32N2O
SMILES
CC12CCC3C(C1CCC2(C)O)CCC4C3(CC=C5N4NC=C5)C
InChI
InChI=1S/C21H32N2O/c1-19-10-6-14-9-13-22-23(14)18(19)5-4-15-16(19)7-11-20(2)17(15)8-12-21(20,3)24/h6,9,13,15-18,22,24H,4-5,7-8,10-12H2,1-3H3
InChIKey
QBCSWYQAQBHPRM-UHFFFAOYSA-N
Compound name
2,17,18-trimethyl-8,9-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-4,6-dien-17-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.25146 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.258736 185.7
[M+Na]+ 351.240678 192.3
[M-H]- 327.244184 186.2
[M+NH4]+ 346.285283 208.9
[M+K]+ 367.214618 184.2
[M+H-H2O]+ 311.248720 177.2
[M+HCOO]- 373.249661 190.9
[M+CH3COO]- 387.265311 193.2
[M+Na-2H]- 349.226126 184.6
[M]+ 328.25091142 177.6
[M]- 328.25200858 177.6
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

No patent data available for this compound.