CID 24165022

397875-48-8

Structural Information

Molecular Formula
C19H19BrN2O
SMILES
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)Br)C#N
InChI
InChI=1S/C19H19BrN2O/c1-11-14(10-21)17(12-4-6-13(20)7-5-12)18-15(22-11)8-19(2,3)9-16(18)23/h4-7,17,22H,8-9H2,1-3H3
InChIKey
WXXNEYDWZXZWLK-UHFFFAOYSA-N
Compound name
4-(4-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.06808 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.07536 177.7
[M+Na]+ 393.05730 182.7
[M+NH4]+ 388.10190 180.7
[M+K]+ 409.03124 176.3
[M-H]- 369.06080 173.8
[M+Na-2H]- 391.04275 179.2
[M]+ 370.06753 175.8
[M]- 370.06863 175.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.