CID 135744250

168152-87-2

Structural Information

Molecular Formula
C20H16N8O
SMILES
CC1=C(C(=O)NC2=NC=NN12)CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5
InChI
InChI=1S/C20H16N8O/c1-12-17(19(29)23-20-21-11-22-28(12)20)10-13-6-8-14(9-7-13)15-4-2-3-5-16(15)18-24-26-27-25-18/h2-9,11H,10H2,1H3,(H,21,22,23,29)(H,24,25,26,27)
InChIKey
GSPDJXQIQJNQFN-UHFFFAOYSA-N
Compound name
7-methyl-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

384.1447 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.15198 191.9
[M+Na]+ 407.13392 203.9
[M-H]- 383.13742 195.4
[M+NH4]+ 402.17852 195.5
[M+K]+ 423.10786 193.2
[M+H-H2O]+ 367.14196 179.1
[M+HCOO]- 429.14290 205.4
[M+CH3COO]- 443.15855 199.7
[M+Na-2H]- 405.11937 193.6
[M]+ 384.14415 192.5
[M]- 384.14525 192.5
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