CID 154699728

Ns00117467

Structural Information

Molecular Formula
C17H18N4O3
SMILES
CC1=C(NC(=O)N1)CN2CCC3=C(C2=O)C4=C(N3C)C(=CC=C4)O
InChI
InChI=1S/C17H18N4O3/c1-9-11(19-17(24)18-9)8-21-7-6-12-14(16(21)23)10-4-3-5-13(22)15(10)20(12)2/h3-5,22H,6-8H2,1-2H3,(H2,18,19,24)
InChIKey
JYPWLTMVUIKYGC-UHFFFAOYSA-N
Compound name
6-hydroxy-5-methyl-2-[(5-methyl-2-oxo-1,3-dihydroimidazol-4-yl)methyl]-3,4-dihydropyrido[4,3-b]indol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.13788 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.145156 178.6
[M+Na]+ 349.127098 190.3
[M-H]- 325.130604 180.2
[M+NH4]+ 344.171703 191.7
[M+K]+ 365.101038 182.7
[M+H-H2O]+ 309.135140 170.9
[M+HCOO]- 371.136081 192.5
[M+CH3COO]- 385.151731 188.5
[M+Na-2H]- 347.112546 177.5
[M]+ 326.13733142 179.0
[M]- 326.13842858 179.0
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.