CID 5274583

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

Structural Information

Molecular Formula
C22H21N5O2
SMILES
CN1C2C=CC(=O)N(C2C3=CC=CC=C31)C4=CC=C(C=C4)C5=NOC(=N5)N(C)C
InChI
InChI=1S/C22H21N5O2/c1-25(2)22-23-21(24-29-22)14-8-10-15(11-9-14)27-19(28)13-12-18-20(27)16-6-4-5-7-17(16)26(18)3/h4-13,18,20H,1-3H3
InChIKey
CGXRHUPZJVYRDP-UHFFFAOYSA-N
Compound name
1-[4-[5-(dimethylamino)-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

387.16953 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.17681 194.6
[M+Na]+ 410.15875 204.0
[M-H]- 386.16225 204.0
[M+NH4]+ 405.20335 205.1
[M+K]+ 426.13269 199.3
[M+H-H2O]+ 370.16679 183.6
[M+HCOO]- 432.16773 211.2
[M+CH3COO]- 446.18338 204.5
[M+Na-2H]- 408.14420 193.8
[M]+ 387.16898 197.6
[M]- 387.17008 197.6
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.