CID 3068030

2-(4-phenyl-5-((4-phenyl-1-piperazinyl)amino)-4h-1,2,4-triazol-3-yl)phenol

Structural Information

Molecular Formula
C24H24N6O
SMILES
C1CN(CCN1C2=CC=CC=C2)NC3=NN=C(N3C4=CC=CC=C4)C5=CC=CC=C5O
InChI
InChI=1S/C24H24N6O/c31-22-14-8-7-13-21(22)23-25-26-24(30(23)20-11-5-2-6-12-20)27-29-17-15-28(16-18-29)19-9-3-1-4-10-19/h1-14,31H,15-18H2,(H,26,27)
InChIKey
NTWHXRTUOPNZNP-UHFFFAOYSA-N
Compound name
2-[4-phenyl-5-[(4-phenylpiperazin-1-yl)amino]-1,2,4-triazol-3-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.20117 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.20845 198.3
[M+Na]+ 435.19039 203.1
[M-H]- 411.19389 205.5
[M+NH4]+ 430.23499 201.0
[M+K]+ 451.16433 194.0
[M+H-H2O]+ 395.19843 183.4
[M+HCOO]- 457.19937 211.9
[M+CH3COO]- 471.21502 204.4
[M+Na-2H]- 433.17584 199.6
[M]+ 412.20062 192.1
[M]- 412.20172 192.1
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.