CID 387089

Nsc680480

Structural Information

Molecular Formula
C15H15N5
SMILES
CN(C)C1=CC=C(C=C1)N=NC2=CC3=C(C=C2)N=CN3
InChI
InChI=1S/C15H15N5/c1-20(2)13-6-3-11(4-7-13)18-19-12-5-8-14-15(9-12)17-10-16-14/h3-10H,1-2H3,(H,16,17)
InChIKey
WFCWCGCKZSPYGF-UHFFFAOYSA-N
Compound name
4-(3H-benzimidazol-5-yldiazenyl)-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.13275 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.14003 158.1
[M+Na]+ 288.12197 166.8
[M-H]- 264.12547 166.6
[M+NH4]+ 283.16657 175.2
[M+K]+ 304.09591 163.0
[M+H-H2O]+ 248.13001 148.1
[M+HCOO]- 310.13095 186.9
[M+CH3COO]- 324.14660 171.2
[M+Na-2H]- 286.10742 167.2
[M]+ 265.13220 160.7
[M]- 265.13330 160.7
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.