CID 278861

10173-59-8

Structural Information

Molecular Formula
C17H13N3
SMILES
C1=CC=C2C(=C1)C=CC3=C2N=C(N3)C4=CC=CC=C4N
InChI
InChI=1S/C17H13N3/c18-14-8-4-3-7-13(14)17-19-15-10-9-11-5-1-2-6-12(11)16(15)20-17/h1-10H,18H2,(H,19,20)
InChIKey
DWBKTAXQSDQBOW-UHFFFAOYSA-N
Compound name
2-(3H-benzo[e]benzimidazol-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.11096 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.11824 157.2
[M+Na]+ 282.10018 168.0
[M-H]- 258.10368 162.4
[M+NH4]+ 277.14478 174.2
[M+K]+ 298.07412 160.1
[M+H-H2O]+ 242.10822 148.7
[M+HCOO]- 304.10916 178.7
[M+CH3COO]- 318.12481 169.4
[M+Na-2H]- 280.08563 165.0
[M]+ 259.11041 156.0
[M]- 259.11151 156.0
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.