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]+ 313.191056 166.8
[M+Na]+ 335.172998 171.0
[M-H]- 311.176504 161.8
[M+NH4]+ 330.217603 189.1
[M+K]+ 351.146938 163.6
[M+H-H2O]+ 295.181040 159.0
[M+HCOO]- 357.181981 166.6
[M+CH3COO]- 371.197631 173.4
[M+Na-2H]- 333.158446 169.4
[M]+ 312.18323142 165.4
[M]- 312.18432858 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.