CID 371434

Nsc645656

Structural Information

Molecular Formula
C19H16N4O
SMILES
CCC1=NC2=C(N1)C=C(C=C2)N=NC3=C(C=CC4=CC=CC=C43)O
InChI
InChI=1S/C19H16N4O/c1-2-18-20-15-9-8-13(11-16(15)21-18)22-23-19-14-6-4-3-5-12(14)7-10-17(19)24/h3-11,24H,2H2,1H3,(H,20,21)
InChIKey
CDMBPCSJABTNNV-UHFFFAOYSA-N
Compound name
1-[(2-ethyl-3H-benzimidazol-5-yl)diazenyl]naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.13242 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.13970 172.0
[M+Na]+ 339.12164 182.2
[M-H]- 315.12514 178.9
[M+NH4]+ 334.16624 187.2
[M+K]+ 355.09558 175.3
[M+H-H2O]+ 299.12968 162.3
[M+HCOO]- 361.13062 196.1
[M+CH3COO]- 375.14627 183.7
[M+Na-2H]- 337.10709 180.0
[M]+ 316.13187 174.4
[M]- 316.13297 174.4
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.