CID 19799269

128486-89-5

Structural Information

Molecular Formula
C17H18N4O2
SMILES
CC1=C(N=CN1)CN2CCC3=C(C2=O)C4=C(N3C)C(=CC=C4)O
InChI
InChI=1S/C17H18N4O2/c1-10-12(19-9-18-10)8-21-7-6-13-15(17(21)23)11-4-3-5-14(22)16(11)20(13)2/h3-5,9,22H,6-8H2,1-2H3,(H,18,19)
InChIKey
UUQDYYPVWUOAOE-UHFFFAOYSA-N
Compound name
6-hydroxy-5-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-3,4-dihydropyrido[4,3-b]indol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

310.14297 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.150246 175.2
[M+Na]+ 333.132188 186.5
[M-H]- 309.135694 177.6
[M+NH4]+ 328.176793 189.5
[M+K]+ 349.106128 179.5
[M+H-H2O]+ 293.140230 166.9
[M+HCOO]- 355.141171 190.4
[M+CH3COO]- 369.156821 185.6
[M+Na-2H]- 331.117636 175.1
[M]+ 310.14242142 176.2
[M]- 310.14351858 176.2
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