CID 389558

Nsc685863

Structural Information

Molecular Formula
C20H14BrN3
SMILES
C1=CC=C(C=C1)N=NC2=C(NC3=CC=CC=C32)C4=CC=C(C=C4)Br
InChI
InChI=1S/C20H14BrN3/c21-15-12-10-14(11-13-15)19-20(17-8-4-5-9-18(17)22-19)24-23-16-6-2-1-3-7-16/h1-13,22H
InChIKey
MJVPNGWTNWHGLL-UHFFFAOYSA-N
Compound name
[2-(4-bromophenyl)-1H-indol-3-yl]-phenyldiazene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.0371 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.04438 180.4
[M+Na]+ 398.02632 191.9
[M-H]- 374.02982 193.5
[M+NH4]+ 393.07092 197.4
[M+K]+ 414.00026 178.3
[M+H-H2O]+ 358.03436 177.0
[M+HCOO]- 420.03530 205.4
[M+CH3COO]- 434.05095 193.9
[M+Na-2H]- 396.01177 188.3
[M]+ 375.03655 199.6
[M]- 375.03765 199.6
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.