CID 510450

(1s,2s,3s)-2-amino-1-(4-chloro-6-methoxy-3-methyl-1h-pyrazolo[3,4-b]quinolin-1-yl)-3-methylpentan-1-ol

Structural Information

Molecular Formula
C18H23ClN4O2
SMILES
CC[C@H](C)[C@@H]([C@@H](N1C2=NC3=C(C=C(C=C3)OC)C(=C2C(=N1)C)Cl)O)N
InChI
InChI=1S/C18H23ClN4O2/c1-5-9(2)16(20)18(24)23-17-14(10(3)22-23)15(19)12-8-11(25-4)6-7-13(12)21-17/h6-9,16,18,24H,5,20H2,1-4H3/t9-,16-,18-/m0/s1
InChIKey
GFHBVZSLYMOHEO-QIGVCLAPSA-N
Compound name
(1S,2S,3S)-2-amino-1-(4-chloro-6-methoxy-3-methylpyrazolo[3,4-b]quinolin-1-yl)-3-methylpentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

362.15094 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.15822 186.7
[M+Na]+ 385.14016 196.5
[M-H]- 361.14366 187.4
[M+NH4]+ 380.18476 199.6
[M+K]+ 401.11410 190.8
[M+H-H2O]+ 345.14820 179.1
[M+HCOO]- 407.14914 197.7
[M+CH3COO]- 421.16479 219.4
[M+Na-2H]- 383.12561 186.3
[M]+ 362.15039 192.7
[M]- 362.15149 192.7
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

No patent data available for this compound.