CID 388589

Nsc683599

Structural Information

Molecular Formula
C11H15N5
SMILES
CCC1=NC2=C(N1)C=C(C=C2)N=NN(C)C
InChI
InChI=1S/C11H15N5/c1-4-11-12-9-6-5-8(7-10(9)13-11)14-15-16(2)3/h5-7H,4H2,1-3H3,(H,12,13)
InChIKey
ALDYMOVIRQWCSN-UHFFFAOYSA-N
Compound name
N-[(2-ethyl-3H-benzimidazol-5-yl)diazenyl]-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.13275 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.14003 146.8
[M+Na]+ 240.12197 155.9
[M-H]- 216.12547 152.3
[M+NH4]+ 235.16657 166.5
[M+K]+ 256.09591 154.0
[M+H-H2O]+ 200.13001 138.1
[M+HCOO]- 262.13095 175.5
[M+CH3COO]- 276.14660 201.3
[M+Na-2H]- 238.10742 155.4
[M]+ 217.13220 150.5
[M]- 217.13330 150.5
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.