CID 3042259

Perimidine, 2-(p-bromophenyl)-1-methyl-

Structural Information

Molecular Formula
C18H13BrN2
SMILES
CN1C2=CC=CC3=C2C(=CC=C3)N=C1C4=CC=C(C=C4)Br
InChI
InChI=1S/C18H13BrN2/c1-21-16-7-3-5-12-4-2-6-15(17(12)16)20-18(21)13-8-10-14(19)11-9-13/h2-11H,1H3
InChIKey
SRZPBGYDRPCBDK-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)-1-methylperimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.0262 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.03348 172.7
[M+Na]+ 359.01542 184.9
[M-H]- 335.01892 180.3
[M+NH4]+ 354.06002 189.8
[M+K]+ 374.98936 171.8
[M+H-H2O]+ 319.02346 170.0
[M+HCOO]- 381.02440 188.7
[M+CH3COO]- 395.04005 185.5
[M+Na-2H]- 357.00087 181.4
[M]+ 336.02565 191.7
[M]- 336.02675 191.7
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.