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]+ 327.14516 178.6
[M+Na]+ 349.12710 190.3
[M-H]- 325.13060 180.2
[M+NH4]+ 344.17170 191.7
[M+K]+ 365.10104 182.7
[M+H-H2O]+ 309.13514 170.9
[M+HCOO]- 371.13608 192.5
[M+CH3COO]- 385.15173 188.5
[M+Na-2H]- 347.11255 177.5
[M]+ 326.13733 179.0
[M]- 326.13843 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.