CID 456383

Tetramethylnortopsentin b

Structural Information

Molecular Formula
C23H22BrN4
SMILES
CN1C=C(C2=CC=CC=C21)C3=C[N+](=C(N3C)C4=CN(C5=C4C=CC(=C5)Br)C)C
InChI
InChI=1S/C23H22BrN4/c1-25-12-18(16-7-5-6-8-20(16)25)22-14-27(3)23(28(22)4)19-13-26(2)21-11-15(24)9-10-17(19)21/h5-14H,1-4H3/q+1
InChIKey
HKWXPMKDJLNLBB-UHFFFAOYSA-N
Compound name
6-bromo-3-[1,3-dimethyl-4-(1-methylindol-3-yl)imidazol-1-ium-2-yl]-1-methylindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.10278 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.11006 205.3
[M+Na]+ 456.09200 222.0
[M-H]- 432.09550 217.9
[M+NH4]+ 451.13660 222.0
[M+K]+ 472.06594 203.9
[M+H-H2O]+ 416.10004 206.0
[M+HCOO]- 478.10098 224.7
[M+CH3COO]- 492.11663 218.5
[M+Na-2H]- 454.07745 206.1
[M]+ 433.10223 229.7
[M]- 433.10333 229.7
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.