CID 374048

Nsc651244

Structural Information

Molecular Formula
C16H15N5Se
SMILES
C1C(N=N[Se]1)C2=CC=C(C=C2)NCC3=NC4=CC=CC=C4N3
InChI
InChI=1S/C16H15N5Se/c1-2-4-14-13(3-1)18-16(19-14)9-17-12-7-5-11(6-8-12)15-10-22-21-20-15/h1-8,15,17H,9-10H2,(H,18,19)
InChIKey
VGLXQBAWRKTWBQ-UHFFFAOYSA-N
Compound name
N-(1H-benzimidazol-2-ylmethyl)-4-(4,5-dihydroselenadiazol-4-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.04926 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.05654 175.4
[M+Na]+ 380.03848 183.2
[M-H]- 356.04198 179.8
[M+NH4]+ 375.08308 188.0
[M+K]+ 396.01242 175.9
[M+H-H2O]+ 340.04652 164.0
[M+HCOO]- 402.04746 195.1
[M+CH3COO]- 416.06311 185.1
[M+Na-2H]- 378.02393 179.0
[M]+ 357.04871 173.9
[M]- 357.04981 173.9
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

No patent data available for this compound.