CID 135744252

168152-89-4

Structural Information

Molecular Formula
C26H29N9O
SMILES
CCCC1=C(C(=O)NC2=NC(=NN12)N(CC)CC)CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5
InChI
InChI=1S/C26H29N9O/c1-4-9-22-21(24(36)27-25-28-26(31-35(22)25)34(5-2)6-3)16-17-12-14-18(15-13-17)19-10-7-8-11-20(19)23-29-32-33-30-23/h7-8,10-15H,4-6,9,16H2,1-3H3,(H,27,28,31,36)(H,29,30,32,33)
InChIKey
STOJFZHKRSTBNE-UHFFFAOYSA-N
Compound name
2-(diethylamino)-7-propyl-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

0
Patents

483.2495 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.25678 215.8
[M+Na]+ 506.23872 231.4
[M+NH4]+ 501.28332 218.9
[M+K]+ 522.21266 228.2
[M-H]- 482.24222 219.6
[M+Na-2H]- 504.22417 224.1
[M]+ 483.24895 219.0
[M]- 483.25005 219.0
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

No patent data available for this compound.