CID 3733734

Tris(1h-benzotriazol-1-yl)methane

Structural Information

Molecular Formula
C19H13N9
SMILES
C1=CC=C2C(=C1)N=NN2C(N3C4=CC=CC=C4N=N3)N5C6=CC=CC=C6N=N5
InChI
InChI=1S/C19H13N9/c1-4-10-16-13(7-1)20-23-26(16)19(27-17-11-5-2-8-14(17)21-24-27)28-18-12-6-3-9-15(18)22-25-28/h1-12,19H
InChIKey
VENLCXAGJRTBFL-UHFFFAOYSA-N
Compound name
1-[bis(benzotriazol-1-yl)methyl]benzotriazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

56
Patents

367.1294 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.13668 180.5
[M+Na]+ 390.11862 194.3
[M-H]- 366.12212 185.2
[M+NH4]+ 385.16322 188.4
[M+K]+ 406.09256 185.9
[M+H-H2O]+ 350.12666 168.2
[M+HCOO]- 412.12760 196.4
[M+CH3COO]- 426.14325 190.2
[M+Na-2H]- 388.10407 184.6
[M]+ 367.12885 186.4
[M]- 367.12995 186.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe