CID 9908378

205881-86-3

Structural Information

Molecular Formula
C23H20FN3O2
SMILES
CN1C2=C(C=C(C=C2)F)C3=C1C(=O)N(C=C3C(=O)N4CCCC4)C5=CC=CC=C5
InChI
InChI=1S/C23H20FN3O2/c1-25-19-10-9-15(24)13-17(19)20-18(22(28)26-11-5-6-12-26)14-27(23(29)21(20)25)16-7-3-2-4-8-16/h2-4,7-10,13-14H,5-6,11-12H2,1H3
InChIKey
QQWHWWDIFGNCLV-UHFFFAOYSA-N
Compound name
6-fluoro-9-methyl-2-phenyl-4-(pyrrolidine-1-carbonyl)pyrido[3,4-b]indol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

29
Patents

389.15396 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.16124 193.8
[M+Na]+ 412.14318 204.3
[M-H]- 388.14668 201.6
[M+NH4]+ 407.18778 206.7
[M+K]+ 428.11712 196.7
[M+H-H2O]+ 372.15122 182.8
[M+HCOO]- 434.15216 210.4
[M+CH3COO]- 448.16781 203.7
[M+Na-2H]- 410.12863 191.5
[M]+ 389.15341 194.6
[M]- 389.15451 194.6
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