CID 288279

3-benzyl-1,2,3-benzotriazin-4(3h)-imine

Structural Information

Molecular Formula
C14H12N4
SMILES
C1=CC=C(C=C1)CN2C(=N)C3=CC=CC=C3N=N2
InChI
InChI=1S/C14H12N4/c15-14-12-8-4-5-9-13(12)16-17-18(14)10-11-6-2-1-3-7-11/h1-9,15H,10H2
InChIKey
ZAYTWEOAKIBPKR-UHFFFAOYSA-N
Compound name
3-benzyl-1,2,3-benzotriazin-4-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.1062 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.11348 152.6
[M+Na]+ 259.09542 162.1
[M-H]- 235.09892 156.3
[M+NH4]+ 254.14002 166.7
[M+K]+ 275.06936 155.7
[M+H-H2O]+ 219.10346 142.4
[M+HCOO]- 281.10440 173.8
[M+CH3COO]- 295.12005 164.3
[M+Na-2H]- 257.08087 163.1
[M]+ 236.10565 151.2
[M]- 236.10675 151.2
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

No patent data available for this compound.