CID 135950315

1174132-59-2

Structural Information

Molecular Formula

C₁₃H₁₂N₄O

SMILES

CC1=CC(=C2C=CC=C(C2=N1)O)C3=NC=NN3C

InChI

InChI=1S/C13H12N4O/c1-8-6-10(13-14-7-15-17(13)2)9-4-3-5-11(18)12(9)16-8/h3-7,18H,1-2H3

InChIKey

MEWCHTSYVDAHFK-UHFFFAOYSA-N

Compound name

2-methyl-4-(2-methyl-1,2,4-triazol-3-yl)quinolin-8-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 240.1011 Da
Monoisotopic Mass: 2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	241.10838	154.6
[M+Na]+	263.09032	167.4
[M-H]-	239.09382	157.2
[M+NH4]+	258.13492	169.6
[M+K]+	279.06426	161.6
[M+H-H2O]+	223.09836	145.4
[M+HCOO]-	285.09930	174.5
[M+CH3COO]-	299.11495	167.2
[M+Na-2H]-	261.07577	160.8
[M]+	240.10055	157.5
[M]-	240.10165	157.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe