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

30
Patents

240.1011 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.108376 154.6
[M+Na]+ 263.090318 167.4
[M-H]- 239.093824 157.2
[M+NH4]+ 258.134923 169.6
[M+K]+ 279.064258 161.6
[M+H-H2O]+ 223.098360 145.4
[M+HCOO]- 285.099301 174.5
[M+CH3COO]- 299.114951 167.2
[M+Na-2H]- 261.075766 160.8
[M]+ 240.10055142 157.5
[M]- 240.10164858 157.5
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

patents stripe