CID 37749

Brn 0492422

Structural Information

Molecular Formula
C17H17BrN2O
SMILES
CN1CCC2=C(C1)C=CC=C2NC(=O)C3=CC=CC=C3Br
InChI
InChI=1S/C17H17BrN2O/c1-20-10-9-13-12(11-20)5-4-8-16(13)19-17(21)14-6-2-3-7-15(14)18/h2-8H,9-11H2,1H3,(H,19,21)
InChIKey
GRMUBWNQWIFTDO-UHFFFAOYSA-N
Compound name
2-bromo-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

344.05243 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.05971 173.1
[M+Na]+ 367.04165 182.0
[M-H]- 343.04515 181.1
[M+NH4]+ 362.08625 189.4
[M+K]+ 383.01559 169.5
[M+H-H2O]+ 327.04969 170.7
[M+HCOO]- 389.05063 190.0
[M+CH3COO]- 403.06628 185.1
[M+Na-2H]- 365.02710 178.4
[M]+ 344.05188 188.8
[M]- 344.05298 188.8
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

patents stripe