CID 105000

(-)-indolactam v

Structural Information

Molecular Formula
C17H23N3O2
SMILES
CC(C)[C@H]1C(=O)N[C@@H](CC2=CNC3=C2C(=CC=C3)N1C)CO
InChI
InChI=1S/C17H23N3O2/c1-10(2)16-17(22)19-12(9-21)7-11-8-18-13-5-4-6-14(15(11)13)20(16)3/h4-6,8,10,12,16,18,21H,7,9H2,1-3H3,(H,19,22)/t12-,16-/m0/s1
InChIKey
LUZOFMGZMUZSSK-LRDDRELGSA-N
Compound name
(10S,13S)-13-(hydroxymethyl)-9-methyl-10-propan-2-yl-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1,4(15),5,7-tetraen-11-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

99
References

931
Patents

301.17902 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.18630 193.9
[M+Na]+ 324.16824 195.4
[M+NH4]+ 319.21284 194.6
[M+K]+ 340.14218 193.5
[M-H]- 300.17174 193.7
[M+Na-2H]- 322.15369 192.4
[M]+ 301.17847 194.1
[M]- 301.17957 194.1
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

patents stripe