CID 71315238

1263358-13-9

Structural Information

Molecular Formula
C19H22BrN5O
SMILES
C1CN(CCN1CCCN2C(=O)N3C=CC=CC3=N2)C4=CC(=CC=C4)Br
InChI
InChI=1S/C19H22BrN5O/c20-16-5-3-6-17(15-16)23-13-11-22(12-14-23)8-4-10-25-19(26)24-9-2-1-7-18(24)21-25/h1-3,5-7,9,15H,4,8,10-14H2
InChIKey
HNSTYKJQMWGCRU-UHFFFAOYSA-N
Compound name
2-[3-[4-(3-bromophenyl)piperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

415.10077 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.108046 190.0
[M+Na]+ 438.089988 200.9
[M-H]- 414.093494 196.3
[M+NH4]+ 433.134593 200.3
[M+K]+ 454.063928 187.3
[M+H-H2O]+ 398.098030 185.4
[M+HCOO]- 460.098971 203.2
[M+CH3COO]- 474.114621 200.2
[M+Na-2H]- 436.075436 193.4
[M]+ 415.10022142 207.9
[M]- 415.10131858 207.9
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