CID 111898

34143-51-6

Structural Information

Molecular Formula
C23H24BrN2
SMILES
CC[N+]1=C(C2=CC=CC3=C(C=CC1=C32)Br)C4=CC=C(C=C4)N(CC)CC
InChI
InChI=1S/C23H24BrN2/c1-4-25(5-2)17-12-10-16(11-13-17)23-19-9-7-8-18-20(24)14-15-21(22(18)19)26(23)6-3/h7-15H,4-6H2,1-3H3/q+1
InChIKey
AKRCUCCYSWQNRB-UHFFFAOYSA-N
Compound name
4-(6-bromo-1-ethylbenzo[cd]indol-1-ium-2-yl)-N,N-diethylaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

407.1123 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.11958 201.9
[M+Na]+ 430.10152 212.6
[M-H]- 406.10502 212.2
[M+NH4]+ 425.14612 219.5
[M+K]+ 446.07546 194.7
[M+H-H2O]+ 390.10956 201.4
[M+HCOO]- 452.11050 220.5
[M+CH3COO]- 466.12615 222.6
[M+Na-2H]- 428.08697 206.7
[M]+ 407.11175 224.0
[M]- 407.11285 224.0
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.