CID 4519736

124337-34-4

Structural Information

Molecular Formula
C19H14N4
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3N2CN4C5=CC=CC=C5N=N4
InChI
InChI=1S/C19H14N4/c1-4-10-17-14(7-1)15-8-2-5-11-18(15)22(17)13-23-19-12-6-3-9-16(19)20-21-23/h1-12H,13H2
InChIKey
JWLQIMHJRKCIFA-UHFFFAOYSA-N
Compound name
9-(benzotriazol-1-ylmethyl)carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

183
Patents

298.12186 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.12914 168.8
[M+Na]+ 321.11108 181.8
[M-H]- 297.11458 174.6
[M+NH4]+ 316.15568 185.1
[M+K]+ 337.08502 173.8
[M+H-H2O]+ 281.11912 158.4
[M+HCOO]- 343.12006 189.6
[M+CH3COO]- 357.13571 181.0
[M+Na-2H]- 319.09653 175.6
[M]+ 298.12131 173.3
[M]- 298.12241 173.3
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