CID 5347569

303095-43-4

Structural Information

Molecular Formula
C19H19N5
SMILES
CCN1C2=C(C=C(C=C2)/C=N/N3C(=NN=C3C)C)C4=CC=CC=C41
InChI
InChI=1S/C19H19N5/c1-4-23-18-8-6-5-7-16(18)17-11-15(9-10-19(17)23)12-20-24-13(2)21-22-14(24)3/h5-12H,4H2,1-3H3/b20-12+
InChIKey
PCHDAEOWFCRXJW-UDWIEESQSA-N
Compound name
(E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(9-ethylcarbazol-3-yl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

2
Patents

317.16403 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.17131 177.7
[M+Na]+ 340.15325 191.1
[M-H]- 316.15675 184.4
[M+NH4]+ 335.19785 193.6
[M+K]+ 356.12719 184.0
[M+H-H2O]+ 300.16129 167.5
[M+HCOO]- 362.16223 201.5
[M+CH3COO]- 376.17788 190.2
[M+Na-2H]- 338.13870 181.8
[M]+ 317.16348 184.8
[M]- 317.16458 184.8
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