CID 3077165

Rs-2076

Structural Information

Molecular Formula
C19H22N2O2
SMILES
CC12CCCC3C1C4=C(CC3N)C5=C(N4C(=O)C2)C=CC=C5O
InChI
InChI=1S/C19H22N2O2/c1-19-7-3-4-10-12(20)8-11-16-13(5-2-6-14(16)22)21(15(23)9-19)18(11)17(10)19/h2,5-6,10,12,17,22H,3-4,7-9,20H2,1H3
InChIKey
HIAACXLYUNFLOO-UHFFFAOYSA-N
Compound name
10-amino-6-hydroxy-15-methyl-1-azapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),3,5,8(18)-tetraen-17-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.16812 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.17540 171.9
[M+Na]+ 333.15734 180.0
[M-H]- 309.16084 174.2
[M+NH4]+ 328.20194 192.6
[M+K]+ 349.13128 173.4
[M+H-H2O]+ 293.16538 164.1
[M+HCOO]- 355.16632 183.3
[M+CH3COO]- 369.18197 181.6
[M+Na-2H]- 331.14279 175.5
[M]+ 310.16757 169.3
[M]- 310.16867 169.3
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.