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]+ 218.140026 146.8
[M+Na]+ 240.121968 155.9
[M-H]- 216.125474 152.3
[M+NH4]+ 235.166573 166.5
[M+K]+ 256.095908 154.0
[M+H-H2O]+ 200.130010 138.1
[M+HCOO]- 262.130951 175.5
[M+CH3COO]- 276.146601 201.3
[M+Na-2H]- 238.107416 155.4
[M]+ 217.13220142 150.5
[M]- 217.13329858 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.