CID 11791351

160194-39-8

Structural Information

Molecular Formula
C13H14N4O
SMILES
C1=CC2=C(C=C1CN3C=NC=N3)C(=CN2)CCO
InChI
InChI=1S/C13H14N4O/c18-4-3-11-6-15-13-2-1-10(5-12(11)13)7-17-9-14-8-16-17/h1-2,5-6,8-9,15,18H,3-4,7H2
InChIKey
WXWBRTKSGCYLQS-UHFFFAOYSA-N
Compound name
2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

242.11676 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.124036 153.4
[M+Na]+ 265.105978 163.6
[M-H]- 241.109484 154.3
[M+NH4]+ 260.150583 168.9
[M+K]+ 281.079918 158.0
[M+H-H2O]+ 225.114020 144.5
[M+HCOO]- 287.114961 172.9
[M+CH3COO]- 301.130611 165.0
[M+Na-2H]- 263.091426 157.8
[M]+ 242.11621142 154.7
[M]- 242.11730858 154.7
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