CID 5274551

1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-5-methyl-4a,9b-dihydropyrido[3,2-b]indol-2-one

Structural Information

Molecular Formula
C23H20N4O2
SMILES
CN1C2C=CC(=O)N(C2C3=CC=CC=C31)C4=CC=C(C=C4)C5=NOC(=N5)C6CC6
InChI
InChI=1S/C23H20N4O2/c1-26-18-5-3-2-4-17(18)21-19(26)12-13-20(28)27(21)16-10-8-14(9-11-16)22-24-23(29-25-22)15-6-7-15/h2-5,8-13,15,19,21H,6-7H2,1H3
InChIKey
WFGQNZSYZDWJBS-UHFFFAOYSA-N
Compound name
1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-5-methyl-4a,9b-dihydropyrido[3,2-b]indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.15863 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.16591 200.0
[M+Na]+ 407.14785 211.5
[M-H]- 383.15135 210.4
[M+NH4]+ 402.19245 205.5
[M+K]+ 423.12179 203.9
[M+H-H2O]+ 367.15589 189.8
[M+HCOO]- 429.15683 214.8
[M+CH3COO]- 443.17248 208.9
[M+Na-2H]- 405.13330 197.5
[M]+ 384.15808 203.1
[M]- 384.15918 203.1
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.