CID 23245856

352196-01-1

Structural Information

Molecular Formula
C30H21N9
SMILES
C1=CC(=CC(=C1)N2C=CC=N2)C3=NC(=NC(=N3)C4=CC(=CC=C4)N5C=CC=N5)C6=CC(=CC=C6)N7C=CC=N7
InChI
InChI=1S/C30H21N9/c1-7-22(19-25(10-1)37-16-4-13-31-37)28-34-29(23-8-2-11-26(20-23)38-17-5-14-32-38)36-30(35-28)24-9-3-12-27(21-24)39-18-6-15-33-39/h1-21H
InChIKey
NZWMBNNEHOHXAE-UHFFFAOYSA-N
Compound name
2,4,6-tris(3-pyrazol-1-ylphenyl)-1,3,5-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

507.192 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 508.19928 210.5
[M+Na]+ 530.18122 219.8
[M-H]- 506.18472 222.8
[M+NH4]+ 525.22582 208.5
[M+K]+ 546.15516 208.3
[M+H-H2O]+ 490.18926 194.5
[M+HCOO]- 552.19020 225.1
[M+CH3COO]- 566.20585 216.8
[M+Na-2H]- 528.16667 207.8
[M]+ 507.19145 211.0
[M]- 507.19255 211.0
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

patents stripe