CID 24893138

Norajmaline

Structural Information

Molecular Formula
C19H24N2O2
SMILES
CC[C@H]1[C@@H]2C[C@H]3[C@H]4[C@@]5(C[C@@H]([C@H]2[C@H]5O)N3[C@@H]1O)C6=CC=CC=C6N4
InChI
InChI=1S/C19H24N2O2/c1-2-9-10-7-13-16-19(11-5-3-4-6-12(11)20-16)8-14(15(10)17(19)22)21(13)18(9)23/h3-6,9-10,13-18,20,22-23H,2,7-8H2,1H3/t9-,10-,13-,14-,15-,16-,17+,18+,19+/m0/s1
InChIKey
HIOAYNMZFIHQNS-DEKAJGEMSA-N
Compound name
(1R,9R,10S,12R,13S,14R,16S,17S,18R)-13-ethyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

312.18378 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.19106 166.8
[M+Na]+ 335.17300 171.0
[M-H]- 311.17650 161.8
[M+NH4]+ 330.21760 189.1
[M+K]+ 351.14694 163.6
[M+H-H2O]+ 295.18104 159.0
[M+HCOO]- 357.18198 166.6
[M+CH3COO]- 371.19763 173.4
[M+Na-2H]- 333.15845 169.4
[M]+ 312.18323 165.4
[M]- 312.18433 165.4
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.